 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_300_STD_B3LYPDBJ-def2TZVPDr.in
 Output=23_tartaric_acid_300_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/23_tartaric_acid_300_STD/Gau-197895.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/23_tartaric_acid_300_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    197896.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=23_tartaric_acid_300_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:24:12 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_300_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.464416000000     -0.510638000000     -0.301760000000
  O                                                -1.226068000000     -1.649988000000     -0.632869000000
  O                                                -2.372478000000      0.237815000000     -0.908297000000
  C                                                -0.752797000000      0.166934000000      0.877420000000
  C                                                 0.752808000000     -0.166909000000      0.877405000000
  C                                                 1.464382000000      0.510618000000     -0.301784000000
  O                                                 1.226101000000      1.650002000000     -0.632837000000
  O                                                -1.004751000000      1.555168000000      0.901145000000
  O                                                 1.004808000000     -1.555150000000      0.901196000000
  O                                                 2.372410000000     -0.237840000000     -0.908359000000
  H                                                -1.183171000000     -0.268641000000      1.783396000000
  H                                                 1.183171000000      0.268677000000      1.783379000000
  H                                                 2.347339000000     -1.116286000000     -0.478105000000
  H                                                -2.347390000000      1.116250000000     -0.478019000000
  H                                                -0.303553000000      1.976048000000      0.360817000000
  H                                                 0.303578000000     -1.976155000000      0.361020000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Jul 22 20:24:12 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.210191   0.000000
     3  O    1.323875   2.225740   0.000000
     4  C    1.534917   2.409598   2.411882   0.000000
     5  C    2.534692   2.897654   3.622147   1.542173   0.000000
     6  C    3.101745   3.466462   3.894069   2.534664   1.534883
     7  O    3.466534   4.111334   3.875554   2.897655   2.409565
     8  O    2.434302   3.560225   2.623009   1.411112   2.460717
     9  O    2.938567   2.709088   4.230254   2.460755   1.411128
    10  O    3.894049   3.875448   4.768670   3.622122   2.411865
    11  H    2.117909   2.783576   2.985994   1.093499   2.139903
    12  H    3.459025   3.914583   4.459676   2.139880   1.093497
    13  H    3.863597   3.616356   4.929029   3.618694   2.298098
    14  H    1.859429   2.988882   0.978477   2.298074   3.618687
    15  H    2.823158   3.871251   2.985390   1.934320   2.444387
    16  H    2.390151   1.853110   3.697851   2.444469   1.934382
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.210194   0.000000
     8  O    2.938493   2.709021   0.000000
     9  O    2.434290   3.560229   3.703027   0.000000
    10  O    1.323872   2.225732   4.230177   2.623000   0.000000
    11  H    3.459011   3.914584   2.033834   2.687124   4.459669
    12  H    2.117905   2.783523   2.687080   2.033815   2.986018
    13  H    1.859440   2.988890   4.502833   1.974199   0.978476
    14  H    3.863606   3.616448   1.974189   4.502871   4.929023
    15  H    2.390004   1.852969   0.980190   3.804363   3.697687
    16  H    2.823263   3.871410   3.804432   0.980183   2.985486
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.426579   0.000000
    13  H    4.277545   2.896156   0.000000
    14  H    2.896088   4.277518   5.198528   0.000000
    15  H    2.799301   2.673789   4.158551   2.370689   0.000000
    16  H    2.673795   2.799296   2.370752   4.158676   3.998564
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8283046           1.1678491           0.9656679
 Leave Link  202 at Thu Jul 22 20:24:12 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 6 1.00
     Exponent=  2.7032382631D+04 Coefficients=  2.1726302465D-04
     Exponent=  4.0523871392D+03 Coefficients=  1.6838662199D-03
     Exponent=  9.2232722710D+02 Coefficients=  8.7395616265D-03
     Exponent=  2.6124070989D+02 Coefficients=  3.5239968808D-02
     Exponent=  8.5354641351D+01 Coefficients=  1.1153519115D-01
     Exponent=  3.1035035245D+01 Coefficients=  2.5588953961D-01
 S 2 1.00
     Exponent=  1.2260860728D+01 Coefficients=  3.9768730901D-01
     Exponent=  4.9987076005D+00 Coefficients=  2.4627849430D-01
 S 1 1.00
     Exponent=  1.1703108158D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6474740994D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8504536357D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.0288026270D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  6.3274954801D+01 Coefficients=  6.0685103418D-03
     Exponent=  1.4627049379D+01 Coefficients=  4.1912575824D-02
     Exponent=  4.4501223456D+00 Coefficients=  1.6153841088D-01
     Exponent=  1.5275799647D+00 Coefficients=  3.5706951311D-01
 P 1 1.00
     Exponent=  5.2935117943D-01 Coefficients=  4.4794207502D-01
 P 1 1.00
     Exponent=  1.7478421270D-01 Coefficients=  2.4446069663D-01
 P 1 1.00
     Exponent=  5.1112745706D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3140000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.4500000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.4696477366D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.4280000000D+00 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   502 symmetry adapted cartesian basis functions of A   symmetry.
 There are   442 symmetry adapted basis functions of A   symmetry.
   442 basis functions,   664 primitive gaussians,   502 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       591.3890664853 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0261368629 Hartrees.
 Nuclear repulsion after empirical dispersion term =      591.3629296224 Hartrees.
 Leave Link  301 at Thu Jul 22 20:24:13 2021, MaxMem=  5637144576 cpu:               4.6 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   442 RedAO= T EigKep=  2.62D-06  NBF=   442
 NBsUse=   442 1.00D-06 EigRej= -1.00D+00 NBFU=   442
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   498   498   498   498   498 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Thu Jul 22 20:24:14 2021, MaxMem=  5637144576 cpu:               4.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:24:14 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_300_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:24:14 2021, MaxMem=  5637144576 cpu:               3.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636632264 LenY=  5636379758
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.695118772970    
 DIIS: error= 3.85D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.695118772970     IErMin= 1 ErrMin= 3.85D-03
 ErrMax= 3.85D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.65D-03 BMatP= 5.65D-03
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.85D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.258 Goal=   None    Shift=    0.000
 GapD=    0.258 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.73D-03 MaxDP=2.62D-01              OVMax= 1.91D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.72D-03    CP:  9.72D-01
 E= -607.699785441773     Delta-E=       -0.004666668803 Rises=F Damp=F
 DIIS: error= 1.46D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.699785441773     IErMin= 2 ErrMin= 1.46D-04
 ErrMax= 1.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-05 BMatP= 5.65D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.46D-03
 Coeff-Com: -0.126D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.125D-01 0.101D+01
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=1.77D-04 MaxDP=2.01D-02 DE=-4.67D-03 OVMax= 1.53D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.06D-04    CP:  9.71D-01  1.03D+00
 E= -607.699794308992     Delta-E=       -0.000008867218 Rises=F Damp=F
 DIIS: error= 1.87D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -607.699794308992     IErMin= 2 ErrMin= 1.46D-04
 ErrMax= 1.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-05 BMatP= 2.98D-05
 IDIUse=3 WtCom= 4.22D-01 WtEn= 5.78D-01
 Coeff-Com: -0.101D-01 0.549D+00 0.461D+00
 Coeff-En:   0.000D+00 0.397D+00 0.603D+00
 Coeff:     -0.425D-02 0.461D+00 0.543D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=1.89D-05 MaxDP=7.97D-04 DE=-8.87D-06 OVMax= 8.28D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.77D-05    CP:  9.71D-01  1.03D+00  9.44D-01
 E= -607.699816126451     Delta-E=       -0.000021817459 Rises=F Damp=F
 DIIS: error= 7.74D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.699816126451     IErMin= 4 ErrMin= 7.74D-05
 ErrMax= 7.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.83D-06 BMatP= 2.98D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.370D-02 0.176D+00 0.312D+00 0.515D+00
 Coeff:     -0.370D-02 0.176D+00 0.312D+00 0.515D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=6.98D-06 MaxDP=2.98D-04 DE=-2.18D-05 OVMax= 3.49D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.30D-06    CP:  9.71D-01  1.03D+00  9.64D-01  9.21D-01
 E= -607.699819750860     Delta-E=       -0.000003624409 Rises=F Damp=F
 DIIS: error= 1.82D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.699819750860     IErMin= 5 ErrMin= 1.82D-05
 ErrMax= 1.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-07 BMatP= 5.83D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.210D-03-0.227D-02 0.775D-01 0.260D+00 0.664D+00
 Coeff:     -0.210D-03-0.227D-02 0.775D-01 0.260D+00 0.664D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=1.79D-06 MaxDP=1.16D-04 DE=-3.62D-06 OVMax= 8.17D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.37D-06    CP:  9.71D-01  1.03D+00  9.70D-01  9.41D-01  8.74D-01
 E= -607.699819943428     Delta-E=       -0.000000192568 Rises=F Damp=F
 DIIS: error= 3.33D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.699819943428     IErMin= 6 ErrMin= 3.33D-06
 ErrMax= 3.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.33D-09 BMatP= 2.29D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.489D-04-0.846D-02 0.237D-01 0.981D-01 0.302D+00 0.584D+00
 Coeff:      0.489D-04-0.846D-02 0.237D-01 0.981D-01 0.302D+00 0.584D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=6.53D-07 MaxDP=3.15D-05 DE=-1.93D-07 OVMax= 1.70D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.09D-07    CP:  9.71D-01  1.03D+00  9.73D-01  9.30D-01  9.06D-01
                    CP:  8.95D-01
 E= -607.699819950142     Delta-E=       -0.000000006714 Rises=F Damp=F
 DIIS: error= 1.03D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.699819950142     IErMin= 7 ErrMin= 1.03D-06
 ErrMax= 1.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-09 BMatP= 9.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.382D-04-0.462D-02 0.916D-02 0.399D-01 0.130D+00 0.324D+00
 Coeff-Com:  0.501D+00
 Coeff:      0.382D-04-0.462D-02 0.916D-02 0.399D-01 0.130D+00 0.324D+00
 Coeff:      0.501D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=1.07D-07 MaxDP=9.50D-06 DE=-6.71D-09 OVMax= 6.89D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.28D-08    CP:  9.71D-01  1.03D+00  9.73D-01  9.28D-01  9.13D-01
                    CP:  9.07D-01  1.03D+00
 E= -607.699819950774     Delta-E=       -0.000000000632 Rises=F Damp=F
 DIIS: error= 3.12D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.699819950774     IErMin= 8 ErrMin= 3.12D-07
 ErrMax= 3.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-10 BMatP= 1.12D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-04-0.126D-02 0.172D-02 0.760D-02 0.269D-01 0.888D-01
 Coeff-Com:  0.269D+00 0.607D+00
 Coeff:      0.134D-04-0.126D-02 0.172D-02 0.760D-02 0.269D-01 0.888D-01
 Coeff:      0.269D+00 0.607D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=4.96D-08 MaxDP=2.30D-06 DE=-6.32D-10 OVMax= 2.88D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.65D-08    CP:  9.71D-01  1.03D+00  9.73D-01  9.28D-01  9.13D-01
                    CP:  9.23D-01  1.01D+00  8.85D-01
 E= -607.699819950864     Delta-E=       -0.000000000090 Rises=F Damp=F
 DIIS: error= 1.36D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.699819950864     IErMin= 9 ErrMin= 1.36D-07
 ErrMax= 1.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-11 BMatP= 1.12D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.482D-05-0.378D-03 0.306D-03 0.128D-02 0.566D-02 0.275D-01
 Coeff-Com:  0.122D+00 0.376D+00 0.467D+00
 Coeff:      0.482D-05-0.378D-03 0.306D-03 0.128D-02 0.566D-02 0.275D-01
 Coeff:      0.122D+00 0.376D+00 0.467D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=1.14D-08 MaxDP=5.37D-07 DE=-8.96D-11 OVMax= 1.23D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.87D-09    CP:  9.71D-01  1.03D+00  9.73D-01  9.28D-01  9.13D-01
                    CP:  9.22D-01  1.02D+00  8.73D-01  8.94D-01
 E= -607.699819950912     Delta-E=       -0.000000000049 Rises=F Damp=F
 DIIS: error= 4.60D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -607.699819950912     IErMin=10 ErrMin= 4.60D-08
 ErrMax= 4.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-12 BMatP= 2.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.590D-06-0.887D-05-0.107D-03-0.536D-03-0.104D-02 0.153D-02
 Coeff-Com:  0.269D-01 0.127D+00 0.284D+00 0.562D+00
 Coeff:      0.590D-06-0.887D-05-0.107D-03-0.536D-03-0.104D-02 0.153D-02
 Coeff:      0.269D-01 0.127D+00 0.284D+00 0.562D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=6.52D-09 MaxDP=3.42D-07 DE=-4.87D-11 OVMax= 2.69D-07

 SCF Done:  E(RB3LYP) =  -607.699819951     A.U. after   10 cycles
            NFock= 10  Conv=0.65D-08     -V/T= 2.0044
 KE= 6.050452048836D+02 PE=-2.610918633297D+03 EE= 8.068106788403D+02
 Leave Link  502 at Thu Jul 22 20:26:50 2021, MaxMem=  5637144576 cpu:            1237.0 elap:             155.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   442
 NBasis=   442 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    442 NOA=    39 NOB=    39 NVA=   403 NVB=   403

 **** Warning!!: The largest alpha MO coefficient is  0.10260205D+03

 Leave Link  801 at Thu Jul 22 20:26:50 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4867 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.62D-13 8.33D-09 XBig12= 1.00D+00 3.51D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.62D-13 8.33D-09 XBig12= 4.29D-01 9.41D-02.
     11 vectors produced by pass  2 Test12= 2.62D-13 8.33D-09 XBig12= 5.96D-02 5.58D-02.
     11 vectors produced by pass  3 Test12= 2.62D-13 8.33D-09 XBig12= 1.03D-02 2.15D-02.
     11 vectors produced by pass  4 Test12= 2.62D-13 8.33D-09 XBig12= 1.01D-03 6.37D-03.
     11 vectors produced by pass  5 Test12= 2.62D-13 8.33D-09 XBig12= 2.82D-05 1.28D-03.
     11 vectors produced by pass  6 Test12= 2.62D-13 8.33D-09 XBig12= 5.10D-07 1.15D-04.
     11 vectors produced by pass  7 Test12= 2.62D-13 8.33D-09 XBig12= 1.20D-08 2.57D-05.
     11 vectors produced by pass  8 Test12= 2.62D-13 8.33D-09 XBig12= 1.49D-10 2.43D-06.
      8 vectors produced by pass  9 Test12= 2.62D-13 8.33D-09 XBig12= 1.80D-12 1.78D-07.
      3 vectors produced by pass 10 Test12= 2.62D-13 8.33D-09 XBig12= 1.82D-14 1.76D-08.
      1 vectors produced by pass 11 Test12= 2.62D-13 8.33D-09 XBig12= 6.62D-15 9.20D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.753896D+02
      2 -0.604414D+01  0.790967D+02
      3 -0.249755D-03  0.195198D-03  0.638832D+02
 Isotropic polarizability for W=    0.088559       72.79 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.450038D-02  0.199877D-02 -0.429220D+02
      2   0.265224D-02 -0.778470D-03 -0.759297D+00
      3   0.184815D-02 -0.122030D-02  0.436813D+02
      4   0.195738D-03  0.141154D-02 -0.137869D+02
      5  -0.203748D+02 -0.383515D+01  0.386314D-03
      6  -0.902195D+00  0.185312D+01 -0.189075D-02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.917113D+01  0.533168D+01  0.139918D-03
      2  -0.276679D+02 -0.999823D+01 -0.737755D-03
      3   0.293877D-03  0.321394D-04  0.125361D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.995174D+01  0.261242D+01  0.670451D-03
      2  -0.225472D+02 -0.128847D+02 -0.146184D-02
      3  -0.180303D-02  0.124070D-02  0.293296D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.188437D+01  0.309221D+01 -0.250021D-03
      2   0.309221D+01  0.199120D+01  0.148762D-03
      3  -0.250021D-03  0.148762D-03  0.319689D+00
 OR G Eigenvalues:    -3.5958     0.3197     3.7026  Iso=    -0.1422
 Eigenvectors:
   (1)   0.874933  -0.484245   0.000074
   (2)  -0.000066   0.000034   1.000000
   (3)   0.484245   0.874933   0.000003
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1422 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -48.03 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   97903 ScalPx= 4.16D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   97903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.62D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.37D-14 2.78D-09 XBig12= 1.00D+00 4.43D-01.
     30 vectors produced by pass  1 Test12= 4.37D-14 2.78D-09 XBig12= 8.43D-02 7.76D-02.
     30 vectors produced by pass  2 Test12= 4.37D-14 2.78D-09 XBig12= 1.31D-03 6.96D-03.
     30 vectors produced by pass  3 Test12= 4.37D-14 2.78D-09 XBig12= 1.89D-05 9.00D-04.
     30 vectors produced by pass  4 Test12= 4.37D-14 2.78D-09 XBig12= 2.87D-07 1.04D-04.
     30 vectors produced by pass  5 Test12= 4.37D-14 2.78D-09 XBig12= 2.36D-09 6.48D-06.
     30 vectors produced by pass  6 Test12= 4.37D-14 2.78D-09 XBig12= 8.91D-12 4.09D-07.
     12 vectors produced by pass  7 Test12= 4.37D-14 2.78D-09 XBig12= 1.82D-14 1.46D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   97903 ScalPx= 1.01D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   97903 ScalPx= 1.01D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   97903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.85D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.753896D+02 -0.604414D+01 -0.249755D-03
      2  -0.604414D+01  0.790967D+02  0.195198D-03
      3  -0.249755D-03  0.195198D-03  0.638832D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.917113D+01  0.533168D+01  0.139918D-03
      2  -0.276679D+02 -0.999823D+01 -0.737755D-03
      3   0.293877D-03  0.321394D-04  0.125361D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.450038D-02  0.199877D-02 -0.429220D+02
      2   0.265224D-02 -0.778470D-03 -0.759297D+00
      3   0.184815D-02 -0.122030D-02  0.436813D+02
      4   0.195738D-03  0.141154D-02 -0.137869D+02
      5  -0.203748D+02 -0.383515D+01  0.386314D-03
      6  -0.902195D+00  0.185312D+01 -0.189075D-02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.197277D-02 -0.148582D+01  0.222814D+00  0.124026D+01 -0.975354D+00
      2  -0.148582D+01 -0.966386D+00 -0.108170D+01 -0.975354D+00  0.544598D+01
      3   0.222814D+00 -0.108170D+01 -0.106934D+01 -0.343267D-02  0.128381D+01
                 6             7             8             9            10 
      1  -0.343267D-02  0.164637D+01 -0.178948D+01 -0.125110D+00  0.160408D+01
      2   0.128381D+01 -0.178948D+01  0.141275D+01 -0.871942D+00 -0.236756D+01
      3   0.545577D+00 -0.125110D+00 -0.871942D+00 -0.251447D+00 -0.530530D+00
                11            12            13            14            15 
      1  -0.236756D+01 -0.530530D+00 -0.457487D+01  0.184606D+00 -0.121579D+01
      2  -0.209964D+00  0.507163D-01  0.184606D+00 -0.113653D+02 -0.209897D+01
      3   0.507163D-01  0.856366D+00 -0.121579D+01 -0.209897D+01 -0.313630D+01
                16            17            18            19            20 
      1  -0.123631D+01  0.324269D+00 -0.747241D-01 -0.588930D+01  0.157716D+01
      2   0.324269D+00 -0.274476D+01 -0.284020D+01  0.157716D+01 -0.809950D+00
      3  -0.747241D-01 -0.284020D+01 -0.252086D+01 -0.192575D+01  0.497788D+00
                21            22            23            24            25 
      1  -0.192575D+01 -0.692160D+00 -0.103421D+01 -0.422261D+00 -0.322323D+01
      2   0.497788D+00 -0.103421D+01 -0.193527D+01 -0.219199D+01  0.869878D+00
      3  -0.108528D+01 -0.422261D+00 -0.219199D+01 -0.585789D+00 -0.303921D+01
                26            27            28            29            30 
      1   0.869878D+00 -0.303921D+01 -0.457004D+01  0.174904D+01 -0.595115D-01
      2  -0.236661D+01  0.955754D+00  0.174904D+01  0.128596D+01  0.788019D-01
      3   0.955754D+00 -0.354611D+01 -0.595115D-01  0.788019D-01  0.237683D+01
                31            32            33            34            35 
      1   0.267716D+01  0.221583D+01 -0.725871D+00 -0.550293D+00  0.185169D+00
      2   0.221583D+01 -0.285327D+01 -0.883954D+00  0.185169D+00 -0.435958D+00
      3  -0.725871D+00 -0.883954D+00  0.353402D+01  0.238829D+01  0.217942D+01
                36            37            38            39            40 
      1   0.238829D+01  0.457066D+01 -0.174862D+01 -0.603445D-01 -0.267638D+01
      2   0.217942D+01 -0.174862D+01 -0.128600D+01  0.785952D-01 -0.221570D+01
      3  -0.249152D+01 -0.603445D-01  0.785952D-01 -0.237642D+01 -0.725896D+00
                41            42            43            44            45 
      1  -0.221570D+01 -0.725896D+00 -0.550925D+00  0.184826D+00 -0.238759D+01
      2   0.285386D+01 -0.884462D+00  0.184826D+00 -0.436518D+00 -0.217896D+01
      3  -0.884462D+00 -0.353350D+01 -0.238759D+01 -0.217896D+01 -0.249204D+01
                46            47            48            49            50 
      1   0.112521D-02  0.148557D+01  0.223174D+00 -0.124112D+01  0.974757D+00
      2   0.148557D+01  0.965651D+00 -0.108139D+01  0.974757D+00 -0.544667D+01
      3   0.223174D+00 -0.108139D+01  0.106864D+01 -0.308739D-02  0.128408D+01
                51            52            53            54            55 
      1  -0.308739D-02  0.164657D+01 -0.178906D+01  0.124540D+00 -0.160360D+01
      2   0.128408D+01 -0.178906D+01  0.141247D+01  0.871735D+00  0.236765D+01
      3  -0.545822D+00  0.124540D+00  0.871735D+00 -0.251303D+00 -0.530461D+00
                56            57            58            59            60 
      1   0.236765D+01 -0.530461D+00  0.457532D+01 -0.184131D+00 -0.121598D+01
      2   0.210522D+00  0.505969D-01 -0.184131D+00  0.113657D+02 -0.209895D+01
      3   0.505969D-01 -0.856107D+00 -0.121598D+01 -0.209895D+01  0.313647D+01
                61            62            63            64            65 
      1  -0.123604D+01  0.324214D+00  0.748850D-01 -0.430322D+01  0.145602D+01
      2   0.324214D+00 -0.274430D+01  0.284009D+01  0.145602D+01 -0.211155D+01
      3   0.748850D-01  0.284009D+01 -0.252051D+01  0.174856D+01 -0.232656D+00
                66            67            68            69            70 
      1   0.174856D+01 -0.725333D+00 -0.238795D+01  0.105839D+01  0.301942D+01
      2  -0.232656D+00 -0.238795D+01  0.615114D+01  0.199723D+01 -0.637488D-01
      3  -0.196897D+01  0.105839D+01  0.199723D+01 -0.116413D+00 -0.194565D+01
                71            72            73            74            75 
      1  -0.637488D-01 -0.194565D+01  0.430332D+01 -0.145588D+01  0.174854D+01
      2   0.205114D+01  0.156434D+01 -0.145588D+01  0.211244D+01 -0.232822D+00
      3   0.156434D+01  0.256043D+01  0.174854D+01 -0.232822D+00  0.196894D+01
                76            77            78            79            80 
      1   0.725481D+00  0.238836D+01  0.105828D+01  0.301857D+01 -0.636721D-01
      2   0.238836D+01 -0.615045D+01  0.199738D+01 -0.636721D-01  0.205129D+01
      3   0.105828D+01  0.199738D+01  0.116349D+00  0.194517D+01 -0.156441D+01
                81            82            83            84            85 
      1   0.194517D+01  0.588893D+01 -0.157717D+01 -0.192581D+01  0.691954D+00
      2  -0.156441D+01 -0.157717D+01  0.810004D+00  0.497729D+00  0.103408D+01
      3   0.256001D+01 -0.192581D+01  0.497729D+00  0.108542D+01 -0.422174D+00
                86            87            88            89            90 
      1   0.103408D+01 -0.422174D+00 -0.322307D+01  0.869856D+00  0.303918D+01
      2   0.193543D+01 -0.219199D+01  0.869856D+00 -0.236656D+01 -0.955823D+00
      3  -0.219199D+01  0.585734D+00  0.303918D+01 -0.955823D+00 -0.354641D+01
                91            92            93            94            95 
      1  -0.142057D+01 -0.874513D+00  0.198093D+01 -0.151473D+01 -0.107151D+01
      2  -0.874513D+00 -0.874653D+00  0.326375D+00 -0.107151D+01 -0.114869D+01
      3   0.198093D+01  0.326375D+00 -0.248246D+01  0.687505D+00  0.162205D+01
                96            97            98            99           100 
      1   0.687505D+00  0.236518D+01  0.534720D+00 -0.247314D+01  0.142034D+01
      2   0.162205D+01  0.534720D+00  0.168983D+01 -0.152541D+01  0.874497D+00
      3  -0.247245D+01 -0.247314D+01 -0.152541D+01  0.683089D+01  0.198095D+01
               101           102           103           104           105 
      1   0.874497D+00  0.198095D+01  0.151462D+01  0.107151D+01  0.687488D+00
      2   0.874658D+00  0.326392D+00  0.107151D+01  0.114869D+01  0.162203D+01
      3   0.326392D+00  0.248230D+01  0.687488D+00  0.162203D+01  0.247236D+01
               106           107           108           109           110 
      1   0.236521D+01  0.534755D+00  0.247294D+01  0.113769D+01 -0.953073D+00
      2   0.534755D+00  0.168998D+01  0.152541D+01 -0.953073D+00  0.772173D+00
      3   0.247294D+01  0.152541D+01  0.683081D+01  0.350463D+00  0.160380D+00
               111           112           113           114           115 
      1   0.350463D+00 -0.295693D+01  0.138851D+01  0.118131D+01  0.126085D+01
      2   0.160380D+00  0.138851D+01 -0.476411D+01  0.435838D+00 -0.125779D-01
      3   0.677984D-01  0.118131D+01  0.435838D+00 -0.194027D+01 -0.376459D+00
               116           117           118           119           120 
      1  -0.125779D-01 -0.376459D+00 -0.113762D+01  0.953071D+00  0.350582D+00
      2   0.111092D+01 -0.963082D+00  0.953071D+00 -0.772184D+00  0.160346D+00
      3  -0.963082D+00  0.488765D+00  0.350582D+00  0.160346D+00 -0.678145D-01
               121           122           123           124           125 
      1   0.295715D+01 -0.138843D+01  0.118129D+01  0.126109D+01 -0.125716D-01
      2  -0.138843D+01  0.476385D+01  0.435960D+00 -0.125716D-01  0.111099D+01
      3   0.118129D+01  0.435960D+00  0.194017D+01  0.376435D+00  0.963090D+00
               126           127           128           129           130 
      1   0.376435D+00  0.384938D+01  0.462023D+00 -0.178693D+01  0.192073D+01
      2   0.963090D+00  0.462023D+00  0.105782D+01  0.200414D+00  0.283739D+00
      3   0.488787D+00 -0.178693D+01  0.200414D+00  0.155468D+01 -0.559872D+00
               131           132           133           134           135 
      1   0.283739D+00 -0.559872D+00 -0.328221D+01 -0.482359D-01  0.122120D+01
      2   0.279089D+01 -0.164065D+00 -0.482359D-01 -0.717398D+00  0.488199D+00
      3  -0.164065D+00  0.126303D+01  0.122120D+01  0.488199D+00 -0.107009D+01
               136           137           138           139           140 
      1  -0.384920D+01 -0.462407D+00 -0.178667D+01 -0.192117D+01 -0.284092D+00
      2  -0.462407D+00 -0.105854D+01  0.200441D+00 -0.284092D+00 -0.279177D+01
      3  -0.178667D+01  0.200441D+00 -0.155459D+01 -0.559909D+00 -0.163981D+00
               141           142           143           144 
      1  -0.559909D+00 -0.328116D+01 -0.483343D-01 -0.122076D+01
      2  -0.163981D+00 -0.483343D-01 -0.717252D+00 -0.488218D+00
      3  -0.126317D+01 -0.122076D+01 -0.488218D+00 -0.106940D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.198962D+01 -0.346520D+01 -0.264363D+01 -0.409918D+01 -0.496876D+01
      2   0.108428D+02  0.601769D+01  0.661190D+01  0.689315D+01 -0.110322D+01
      3   0.282558D+01 -0.488991D+01 -0.308211D+01 -0.565018D+01  0.478118D+01
                 6             7             8             9            10 
      1   0.282143D+01  0.112779D+01  0.385473D+01  0.393606D+01  0.215505D+01
      2   0.235064D+01 -0.538353D+01  0.254841D+00 -0.992856D+01 -0.105484D+01
      3   0.324964D+01 -0.878366D+01  0.593085D+01 -0.298551D+01 -0.622700D+01
                11            12            13            14            15 
      1   0.662945D+00  0.849646D+00 -0.220960D+01  0.432629D+01 -0.102769D+02
      2  -0.216748D+01  0.198479D+00 -0.138833D+01  0.363857D+01  0.320022D+01
      3  -0.140177D+01  0.424863D+00  0.141533D+02 -0.171718D+02 -0.839216D+00
                16            17            18            19            20 
      1  -0.205263D+01  0.229694D+01 -0.451091D+01 -0.183812D+00  0.227785D+01
      2  -0.403625D+01  0.540455D+01  0.595397D+01 -0.153739D+01 -0.141160D+01
      3   0.517967D+01 -0.442988D+01 -0.399098D+01  0.123091D+01 -0.687682D+01
                21            22            23            24            25 
      1   0.208486D+01  0.212876D+01  0.525778D+01  0.142605D+01 -0.774523D+00
      2   0.495086D+01 -0.133435D+01  0.514705D+01  0.752909D+00  0.344587D+01
      3   0.386106D+00 -0.161108D+01 -0.816739D+01 -0.742164D+01 -0.134748D+00
                26            27            28            29            30 
      1   0.691530D+01  0.135555D+01  0.173194D+01  0.145511D+01 -0.332704D+00
      2   0.108659D+01  0.114070D+02  0.106977D+02 -0.514540D+00  0.127096D+01
      3  -0.976718D+01  0.113077D+01  0.103993D+01 -0.151258D+01 -0.241545D+00
                31            32            33            34            35 
      1   0.375156D+01 -0.386275D+01 -0.114572D+01  0.619275D+00  0.335785D+01
      2  -0.547451D+01 -0.181224D+01  0.114629D+01 -0.604314D+01 -0.419943D+00
      3   0.340071D+01 -0.182548D+01 -0.204694D+01 -0.268232D+00 -0.118453D+01
                36            37            38            39            40 
      1   0.248440D+01 -0.173122D+01 -0.145512D+01 -0.332832D+00 -0.375119D+01
      2   0.168719D+01 -0.106995D+02  0.513486D+00  0.127303D+01  0.547271D+01
      3   0.990341D+00  0.103893D+01 -0.151244D+01  0.241645D+00  0.340104D+01
                41            42            43            44            45 
      1   0.386429D+01 -0.114620D+01  0.618503D+00  0.335717D+01 -0.248349D+01
      2   0.181120D+01  0.114721D+01 -0.604110D+01 -0.418424D+00 -0.168961D+01
      3  -0.182667D+01  0.204741D+01  0.268822D+00  0.118500D+01  0.989364D+00
                46            47            48            49            50 
      1   0.198867D+01  0.346477D+01 -0.264188D+01  0.409855D+01  0.496730D+01
      2  -0.108416D+02 -0.601593D+01  0.661070D+01 -0.689014D+01  0.110432D+01
      3   0.282555D+01 -0.488908D+01  0.308137D+01 -0.565073D+01  0.478165D+01
                51            52            53            54            55 
      1   0.282196D+01  0.112736D+01  0.385492D+01 -0.393518D+01 -0.215483D+01
      2   0.234845D+01 -0.538389D+01  0.254195D+00  0.992934D+01  0.105565D+01
      3  -0.324982D+01  0.878155D+01 -0.593012D+01 -0.298457D+01 -0.622604D+01
                56            57            58            59            60 
      1  -0.663031D+00  0.848707D+00  0.220933D+01 -0.432614D+01 -0.102768D+02
      2   0.216715D+01  0.198693D+00  0.138705D+01 -0.363841D+01  0.320100D+01
      3  -0.140267D+01 -0.424670D+00  0.141531D+02 -0.171711D+02  0.839101D+00
                61            62            63            64            65 
      1  -0.205243D+01  0.229709D+01  0.451005D+01 -0.457737D+01 -0.295362D+01
      2  -0.403640D+01  0.540398D+01 -0.595295D+01  0.221922D+00 -0.218773D+01
      3  -0.517850D+01  0.442940D+01 -0.399077D+01 -0.131455D+02 -0.645983D+01
                66            67            68            69            70 
      1   0.567150D+01 -0.675639D+01  0.590838D+01 -0.176072D+01  0.550806D+01
      2   0.433458D+01 -0.611704D+00  0.799869D+00 -0.240135D+01 -0.234890D+01
      3   0.631670D+01 -0.254902D+00  0.400868D+01  0.634066D+01  0.101679D+02
                71            72            73            74            75 
      1   0.516003D+01 -0.424203D+01  0.457730D+01  0.295472D+01  0.567123D+01
      2  -0.140638D+01 -0.204458D+01 -0.222933D+00  0.218750D+01  0.433412D+01
      3   0.317870D+01 -0.339264D+01 -0.131459D+02 -0.646132D+01 -0.631595D+01
                76            77            78            79            80 
      1   0.675734D+01 -0.590780D+01 -0.175984D+01  0.550661D+01  0.516047D+01
      2   0.611911D+00 -0.800178D+00 -0.240141D+01 -0.234934D+01 -0.140640D+01
      3  -0.257389D+00  0.400768D+01 -0.634112D+01 -0.101658D+02 -0.317915D+01
                81            82            83            84            85 
      1   0.424058D+01  0.184075D+00 -0.227778D+01  0.208432D+01 -0.212824D+01
      2   0.204440D+01  0.153761D+01  0.141124D+01  0.495050D+01  0.133394D+01
      3  -0.339104D+01  0.123063D+01 -0.687672D+01 -0.386021D+00 -0.160964D+01
                86            87            88            89            90 
      1  -0.525802D+01  0.142644D+01 -0.774210D+00  0.691554D+01 -0.135587D+01
      2  -0.514715D+01  0.753297D+00  0.344509D+01  0.108642D+01 -0.114069D+02
      3  -0.816707D+01  0.742116D+01  0.134728D+00  0.976654D+01  0.113088D+01
                91            92            93            94            95 
      1  -0.955671D+00 -0.136770D+01 -0.537045D-02 -0.135558D+01 -0.133858D+01
      2   0.208184D+00  0.515011D+00 -0.152507D+00  0.187019D+01  0.643917D-01
      3  -0.377786D+00 -0.180961D+01  0.274141D+00  0.252590D+00 -0.121655D+01
                96            97            98            99           100 
      1   0.114730D+01  0.178391D+00  0.357856D+01 -0.124396D+01  0.955591D+00
      2   0.556147D+00 -0.299622D+01  0.265207D+00 -0.200293D+01 -0.207751D+00
      3   0.183748D+01 -0.268307D+00  0.223417D+01 -0.647709D+00 -0.377540D+00
               101           102           103           104           105 
      1   0.136765D+01 -0.550848D-02  0.135562D+01  0.133824D+01  0.114716D+01
      2  -0.515054D+00 -0.152651D+00 -0.187006D+01 -0.644377D-01  0.556054D+00
      3  -0.180947D+01 -0.274039D+00  0.252784D+00 -0.121622D+01 -0.183739D+01
               106           107           108           109           110 
      1   0.178404D+00  0.357851D+01  0.124339D+01  0.160893D+01  0.974925D+00
      2  -0.299624D+01  0.265000D+00  0.200338D+01 -0.119875D+00 -0.634693D+00
      3   0.268487D+00 -0.223433D+01 -0.647407D+00  0.278577D+01 -0.715234D+00
               111           112           113           114           115 
      1  -0.679014D+00  0.774684D+00  0.796321D+01 -0.420274D+01 -0.108574D+01
      2  -0.973626D-01  0.957771D+00  0.296441D+01 -0.507765D+01 -0.954950D+00
      3  -0.138500D+01  0.106809D+01  0.154854D+02 -0.435543D+01 -0.192031D+01
               116           117           118           119           120 
      1  -0.298155D+01  0.197074D+01 -0.160910D+01 -0.975203D+00 -0.678948D+00
      2  -0.346681D+01  0.327928D+01  0.119762D+00  0.634752D+00 -0.973850D-01
      3  -0.617353D+01  0.395622D+01  0.278605D+01 -0.714877D+00  0.138509D+01
               121           122           123           124           125 
      1  -0.775052D+00 -0.796252D+01 -0.420245D+01 -0.108564D+01 -0.298141D+01
      2  -0.957913D+00 -0.296443D+01 -0.507753D+01 -0.955026D+00 -0.346683D+01
      3   0.106886D+01  0.154855D+02  0.435598D+01  0.192081D+01  0.617426D+01
               126           127           128           129           130 
      1  -0.197041D+01  0.760798D+01  0.246102D+01 -0.494521D+01  0.352095D+01
      2  -0.327933D+01 -0.172802D+01  0.510544D+00 -0.114587D+01 -0.536149D+00
      3   0.395633D+01  0.133790D+02  0.389161D+01 -0.739737D+01  0.748771D+01
               131           132           133           134           135 
      1   0.218176D+01 -0.398071D+01 -0.503124D+01 -0.240792D+01  0.409452D+01
      2   0.844108D-01 -0.527129D+00 -0.529815D+00 -0.206891D+00  0.189530D+01
      3   0.259403D+01 -0.312123D+01 -0.109303D+02 -0.291109D+01  0.493898D+01
               136           137           138           139           140 
      1  -0.760791D+01 -0.246132D+01 -0.494516D+01 -0.352144D+01 -0.218278D+01
      2   0.172808D+01 -0.510256D+00 -0.114527D+01  0.536429D+00 -0.841440D-01
      3   0.133795D+02  0.389207D+01  0.739669D+01  0.748911D+01  0.259600D+01
               141           142           143           144 
      1  -0.398103D+01 -0.503004D+01 -0.240757D+01 -0.409334D+01
      2  -0.527139D+00 -0.529578D+00 -0.206926D+00 -0.189490D+01
      3   0.312120D+01  0.109279D+02  0.291089D+01  0.493774D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.627850D+01  0.501026D+00 -0.105789D+01  0.686762D+01  0.157426D+02
      2   0.362345D+01  0.650553D+00  0.414462D+01 -0.657033D+01 -0.243637D+02
      3   0.265505D+01 -0.115158D+01 -0.308673D+01 -0.297287D+00  0.862105D+01
      4   0.109035D+02  0.223245D+01  0.299977D+01 -0.104731D+02 -0.135367D+02
      5  -0.721532D+01  0.297987D+01  0.157600D+00 -0.202997D+01 -0.338639D+01
      6  -0.743854D+00 -0.296768D+01  0.863498D+01 -0.489237D+01 -0.818251D+01
                 6             7             8             9            10 
      1   0.487479D+01 -0.122075D+02  0.972283D+01  0.322200D+01  0.226528D+00
      2  -0.302296D+01  0.883709D+01 -0.982280D+01 -0.215111D+01  0.421180D+01
      3  -0.185183D+01  0.337040D+01  0.999733D-01 -0.107088D+01 -0.443833D+01
      4  -0.622989D+01 -0.563713D+00 -0.820208D+01  0.220768D+01  0.552860D+01
      5   0.509201D+01  0.377844D+00  0.503244D+01 -0.651730D+01  0.121458D+01
      6  -0.134556D+02  0.772292D+00 -0.131626D+01 -0.385667D+01  0.353400D+01
                11            12            13            14            15 
      1   0.858768D+01  0.295020D+01  0.907689D+01 -0.287329D+02 -0.417176D+01
      2  -0.368348D+01 -0.216523D+01 -0.259452D+01  0.486170D+02  0.366392D+01
      3  -0.490420D+01 -0.784968D+00 -0.648237D+01 -0.198841D+02  0.507838D+00
      4   0.136253D+02  0.227824D+01  0.169642D+02  0.331268D+02  0.651828D+01
      5   0.235594D+01  0.476469D+01  0.698331D+01  0.155276D+01  0.572650D+01
      6   0.316505D+00 -0.253639D+01  0.249379D+01  0.169841D+02  0.182115D+02
                16            17            18            19            20 
      1   0.433750D+01 -0.107138D+02 -0.111635D+02  0.429981D+02 -0.621583D+01
      2  -0.315998D+01  0.788495D+01  0.266124D+01 -0.258694D+02  0.326903D+01
      3  -0.117752D+01  0.282885D+01  0.850224D+01 -0.171287D+02  0.294680D+01
      4   0.347085D+01  0.809238D+01  0.844146D+01 -0.929013D+01  0.918261D+01
      5   0.593405D+01  0.594056D+01  0.633459D+01  0.164206D+02 -0.354446D+01
      6  -0.825704D-01  0.154963D+02  0.121852D+02 -0.372575D+01  0.340007D+01
                21            22            23            24            25 
      1   0.832434D+01 -0.403021D+00  0.190826D+01  0.268837D+01  0.147629D+02
      2  -0.721280D+01  0.459695D+00 -0.179729D+01 -0.205304D+01 -0.127755D+02
      3  -0.111154D+01 -0.566745D-01 -0.110968D+00 -0.635330D+00 -0.198740D+01
      4  -0.336432D+01  0.108911D+02  0.627285D+01  0.963336D+01 -0.561357D+01
      5   0.146312D+02  0.484247D+00  0.103215D+02 -0.410728D+00  0.184802D+02
      6  -0.506250D+01  0.322073D+01 -0.202555D+01  0.784849D+01 -0.355794D+01
                26            27            28            29            30 
      1  -0.131338D+01  0.514724D+01  0.376291D+00 -0.323168D+01 -0.461253D+01
      2   0.984329D+00 -0.155281D+02  0.202587D+01  0.431174D+01 -0.463981D+01
      3   0.329049D+00  0.103809D+02 -0.240216D+01 -0.108006D+01  0.925234D+01
      4   0.113301D+02 -0.394060D+01 -0.274693D+01 -0.172587D+01  0.220559D+01
      5  -0.557419D+01  0.203352D+02  0.184656D+01  0.140565D+01 -0.738087D+01
      6   0.716523D+01 -0.573382D+01  0.666326D+01  0.403372D+01 -0.163673D+01
                31            32            33            34            35 
      1   0.131308D+01  0.329534D+01 -0.348526D+01 -0.217287D+01 -0.383880D+01
      2   0.322535D+01 -0.557592D+01 -0.704320D+01 -0.373338D+01 -0.133693D+01
      3  -0.453843D+01  0.228057D+01  0.105285D+02  0.590625D+01  0.517573D+01
      4  -0.760246D+01  0.468300D+01  0.187839D+01  0.198102D+01  0.274513D+01
      5   0.220856D+01  0.562797D+01 -0.725180D+01 -0.533288D+01 -0.461220D+01
      6   0.231847D+01 -0.358128D+01 -0.898957D+01 -0.130016D+01  0.833260D-01
                36            37            38            39            40 
      1  -0.399264D+00  0.377833D+00 -0.323135D+01  0.461157D+01  0.131382D+01
      2   0.101944D+02  0.202545D+01  0.431210D+01  0.463974D+01  0.322433D+01
      3  -0.979515D+01 -0.240328D+01 -0.108075D+01 -0.925131D+01 -0.453815D+01
      4  -0.300052D+01 -0.274556D+01 -0.172581D+01 -0.220574D+01 -0.760217D+01
      5   0.147341D+02 -0.184737D+01 -0.140547D+01 -0.737973D+01 -0.220836D+01
      6   0.960694D+01 -0.666306D+01 -0.403437D+01 -0.163635D+01 -0.231926D+01
                41            42            43            44            45 
      1   0.329571D+01  0.348417D+01  0.217142D+01  0.383741D+01 -0.398194D+00
      2  -0.557546D+01  0.704280D+01  0.373316D+01  0.133778D+01  0.101933D+02
      3   0.227975D+01 -0.105270D+02 -0.590459D+01 -0.517519D+01 -0.979513D+01
      4   0.468506D+01 -0.187989D+01 -0.198158D+01 -0.274634D+01 -0.299951D+01
      5  -0.562965D+01 -0.725034D+01 -0.533014D+01 -0.461086D+01 -0.147355D+02
      6   0.358208D+01 -0.899071D+01 -0.129971D+01  0.835001D-01 -0.960726D+01
                46            47            48            49            50 
      1  -0.627931D+01  0.501839D+00  0.105825D+01  0.686656D+01  0.157411D+02
      2   0.362397D+01  0.648874D+00 -0.414504D+01 -0.657026D+01 -0.243634D+02
      3   0.265534D+01 -0.115071D+01  0.308679D+01 -0.296306D+00  0.862239D+01
      4   0.109025D+02  0.223049D+01 -0.299897D+01 -0.104754D+02 -0.135388D+02
      5   0.721663D+01 -0.297922D+01  0.156180D+00  0.203072D+01  0.338677D+01
      6   0.743940D+00  0.296875D+01  0.863338D+01  0.489219D+01  0.818273D+01
                51            52            53            54            55 
      1  -0.487363D+01  0.122071D+02 -0.972072D+01  0.322077D+01  0.228849D+00
      2   0.302333D+01 -0.883599D+01  0.982120D+01 -0.215086D+01  0.421090D+01
      3   0.185030D+01 -0.337108D+01 -0.100480D+00 -0.106991D+01 -0.443975D+01
      4   0.622999D+01  0.563782D+00  0.820155D+01  0.220727D+01  0.553001D+01
      5   0.509087D+01  0.376169D+00  0.503178D+01  0.651801D+01 -0.121518D+01
      6  -0.134551D+02  0.771811D+00 -0.131657D+01  0.385571D+01 -0.353379D+01
                56            57            58            59            60 
      1   0.858700D+01 -0.294952D+01  0.907641D+01 -0.287315D+02  0.417081D+01
      2  -0.368203D+01  0.216513D+01 -0.259328D+01  0.486172D+02 -0.366370D+01
      3  -0.490497D+01  0.784385D+00 -0.648314D+01 -0.198857D+02 -0.507107D+00
      4   0.136279D+02 -0.227821D+01  0.169660D+02  0.331287D+02 -0.651807D+01
      5  -0.235578D+01  0.476526D+01 -0.698389D+01 -0.155255D+01  0.572751D+01
      6  -0.317640D+00 -0.253518D+01 -0.249390D+01 -0.169841D+02  0.182108D+02
                61            62            63            64            65 
      1  -0.433656D+01  0.107124D+02 -0.111621D+02  0.756145D+01  0.152091D+01
      2   0.315950D+01 -0.788336D+01  0.266157D+01 -0.420399D+01 -0.548957D+01
      3   0.117706D+01 -0.282906D+01  0.850057D+01 -0.335747D+01  0.396866D+01
      4  -0.347045D+01 -0.809126D+01  0.844154D+01 -0.114218D+02  0.109253D+02
      5   0.593424D+01  0.594061D+01 -0.633388D+01 -0.287190D+01  0.228530D+01
      6  -0.818116D-01  0.154960D+02 -0.121841D+02  0.880879D+01 -0.488437D+01
                66            67            68            69            70 
      1   0.202825D+01 -0.100338D+01 -0.126615D+02 -0.379451D+01  0.606182D+00
      2   0.133608D+01 -0.452163D+01  0.216137D+02  0.567406D+01  0.122048D+01
      3  -0.336434D+01  0.552500D+01 -0.895217D+01 -0.187955D+01 -0.182667D+01
      4   0.446980D+01  0.102492D+02 -0.146825D+02 -0.253274D+01  0.727725D+01
      5   0.928609D+01  0.157758D+01 -0.871183D+01 -0.191804D+01  0.727997D+01
      6  -0.562683D+01 -0.173337D+01  0.134853D+02  0.123840D+02 -0.592273D+01
                71            72            73            74            75 
      1  -0.600053D+01 -0.568351D+01  0.756263D+01  0.152270D+01 -0.202779D+01
      2   0.446695D+01 -0.339085D+01 -0.420574D+01 -0.549272D+01 -0.133619D+01
      3   0.153358D+01  0.907435D+01 -0.335689D+01  0.397002D+01  0.336398D+01
      4  -0.495145D+01 -0.593303D+01 -0.114225D+02  0.109251D+02 -0.446993D+01
      5  -0.410984D+01 -0.497944D+01  0.287328D+01 -0.228577D+01  0.928656D+01
      6   0.916558D+01  0.102237D+02 -0.880835D+01  0.488516D+01 -0.562683D+01
                76            77            78            79            80 
      1  -0.100236D+01 -0.126589D+02  0.379473D+01 -0.605407D+00  0.600125D+01
      2  -0.452271D+01  0.216094D+02 -0.567418D+01 -0.122106D+01 -0.446798D+01
      3   0.552506D+01 -0.895053D+01  0.187945D+01  0.182647D+01 -0.153327D+01
      4   0.102488D+02 -0.146839D+02  0.253343D+01 -0.727620D+01  0.495082D+01
      5  -0.157771D+01  0.871315D+01 -0.191878D+01  0.728013D+01 -0.411024D+01
      6   0.173403D+01 -0.134854D+02  0.123843D+02 -0.592135D+01  0.916504D+01
                81            82            83            84            85 
      1  -0.568293D+01  0.429946D+02 -0.621612D+01 -0.832448D+01 -0.403667D+00
      2  -0.339139D+01 -0.258680D+02  0.326953D+01  0.721299D+01  0.460137D+00
      3   0.907432D+01 -0.171266D+02  0.294659D+01  0.111149D+01 -0.564698D-01
      4  -0.593263D+01 -0.929032D+01  0.918236D+01  0.336400D+01  0.108905D+02
      5   0.497946D+01 -0.164210D+02  0.354429D+01  0.146312D+02 -0.484082D+00
      6  -0.102227D+02  0.372536D+01 -0.340016D+01 -0.506211D+01 -0.322000D+01
                86            87            88            89            90 
      1   0.190784D+01 -0.268846D+01 -0.147617D+02  0.131305D+01  0.514631D+01
      2  -0.179772D+01  0.205289D+01  0.127747D+02 -0.984329D+00 -0.155282D+02
      3  -0.110111D+00  0.635574D+00  0.198701D+01 -0.328719D+00  0.103819D+02
      4   0.627319D+01 -0.963277D+01  0.561365D+01 -0.113298D+02 -0.394086D+01
      5  -0.103208D+02 -0.410986D+00  0.184799D+02 -0.557433D+01 -0.203358D+02
      6   0.202540D+01  0.784795D+01 -0.355792D+01  0.716568D+01  0.573428D+01
                91            92            93            94            95 
      1   0.299062D+01  0.143882D+01 -0.412181D+00  0.438389D+00 -0.245056D+01
      2  -0.735237D+01 -0.203646D+01  0.746239D+01 -0.177981D+01 -0.175403D+01
      3   0.436175D+01  0.597644D+00 -0.705021D+01  0.134142D+01  0.420458D+01
      4   0.300693D+01  0.345648D+01 -0.205780D+01  0.444390D+01  0.361179D+01
      5  -0.991995D+01 -0.272308D+01  0.136545D+02 -0.387990D+01 -0.566451D+01
      6  -0.357110D+01 -0.258151D+01  0.302602D+01 -0.332891D+01 -0.573836D+01
                96            97            98            99           100 
      1   0.414019D+01  0.174753D+00  0.263481D+01 -0.104547D+02  0.299038D+01
      2   0.397900D+01  0.709952D+01  0.314623D+01 -0.176826D+02 -0.735202D+01
      3  -0.811920D+01 -0.727427D+01 -0.578104D+01  0.281374D+02  0.436165D+01
      4  -0.417621D+01 -0.219173D+01 -0.381942D+01  0.364281D+01  0.300690D+01
      5   0.794484D+01  0.122388D+02  0.465903D+01 -0.219416D+02  0.991970D+01
      6   0.969346D+01  0.293516D+01  0.645864D+01 -0.962692D+01  0.357148D+01
               101           102           103           104           105 
      1   0.143878D+01  0.412410D+00  0.438290D+00 -0.245056D+01 -0.413996D+01
      2  -0.203645D+01 -0.746187D+01 -0.177950D+01 -0.175384D+01 -0.397859D+01
      3   0.597668D+00  0.704946D+01  0.134121D+01  0.420441D+01  0.811855D+01
      4   0.345658D+01  0.205796D+01  0.444389D+01  0.361192D+01  0.417630D+01
      5   0.272317D+01  0.136539D+02  0.387970D+01  0.566457D+01  0.794465D+01
      6   0.258157D+01  0.302607D+01  0.332893D+01  0.573853D+01  0.969343D+01
               106           107           108           109           110 
      1  -0.174347D+00 -0.263482D+01 -0.104545D+02  0.484906D+01 -0.430340D+01
      2  -0.709916D+01 -0.314631D+01 -0.176816D+02 -0.103223D+01  0.668693D+00
      3   0.727351D+01  0.578113D+01  0.281361D+02 -0.381683D+01  0.363470D+01
      4   0.219189D+01  0.381978D+01  0.364301D+01 -0.550746D+01  0.466755D+01
      5   0.122382D+02  0.465923D+01  0.219415D+02  0.172254D+01  0.698272D+00
      6   0.293532D+01  0.645882D+01  0.962774D+01 -0.290720D-01 -0.217817D+00
               111           112           113           114           115 
      1   0.868056D+00 -0.120370D+02  0.315958D+01  0.306202D+01  0.692633D+01
      2  -0.109508D+01  0.503060D+01  0.407976D+01 -0.391068D+01 -0.355839D+01
      3   0.227023D+00  0.700641D+01 -0.723933D+01  0.848663D+00 -0.336794D+01
      4  -0.333467D+00  0.885666D+01 -0.214891D+02  0.795138D+00 -0.928571D+00
      5   0.240000D+00  0.556274D+01  0.199263D+01 -0.767832D+01 -0.932597D+00
      6  -0.433037D-01 -0.276404D+01  0.505010D+01  0.215867D+01  0.438799D+00
               116           117           118           119           120 
      1  -0.125858D+01 -0.172573D+01  0.484868D+01 -0.430333D+01 -0.868468D+00
      2  -0.275749D+00  0.233143D+01 -0.103194D+01  0.668512D+00  0.109536D+01
      3   0.153433D+01 -0.605705D+00 -0.381674D+01  0.363482D+01 -0.226887D+00
      4   0.496624D+01 -0.320072D+01 -0.550742D+01  0.466750D+01  0.333659D+00
      5  -0.387696D+01  0.322790D+01 -0.172308D+01 -0.698043D+00  0.239959D+00
      6   0.862765D+00  0.357011D+00  0.292510D-01  0.217621D+00 -0.434333D-01
               121           122           123           124           125 
      1  -0.120382D+02  0.315985D+01 -0.306199D+01 -0.692737D+01  0.125863D+01
      2   0.503130D+01  0.407912D+01  0.391066D+01  0.355905D+01  0.275616D+00
      3   0.700689D+01 -0.723897D+01 -0.848669D+00  0.336832D+01 -0.153424D+01
      4   0.885664D+01 -0.214886D+02 -0.795812D+00  0.928886D+00 -0.496675D+01
      5  -0.556250D+01 -0.199334D+01 -0.767827D+01 -0.932342D+00 -0.387720D+01
      6   0.276362D+01 -0.504941D+01  0.215815D+01  0.438615D+00  0.862665D+00
               126           127           128           129           130 
      1  -0.172554D+01 -0.246360D+01 -0.232696D+01 -0.305319D+01 -0.223632D+01
      2   0.233123D+01  0.346662D+01  0.432407D+01 -0.948931D+00  0.271990D+01
      3  -0.605689D+00 -0.100302D+01 -0.199710D+01  0.400212D+01 -0.483574D+00
      4  -0.320095D+01  0.650480D+01 -0.281678D+01 -0.231272D+01  0.436546D+01
      5  -0.322826D+01  0.188323D+01  0.133848D+01 -0.341200D+01  0.167252D+01
      6  -0.357094D+00 -0.467587D+01  0.435059D+01  0.324455D+01 -0.131002D+01
               131           132           133           134           135 
      1  -0.662661D+01 -0.438388D+00  0.158444D+01  0.159444D+01 -0.237225D+00
      2   0.119118D+02 -0.187937D+01 -0.159322D+01 -0.363860D+01  0.227149D+01
      3  -0.528518D+01  0.231776D+01  0.878367D-02  0.204416D+01 -0.203427D+01
      4  -0.100917D+01 -0.676176D+00 -0.543778D+01  0.382399D+01  0.178281D+01
      5   0.730569D+00 -0.150447D+01 -0.351108D+00 -0.480958D+00  0.254265D+01
      6   0.190171D+01  0.409156D+01  0.369460D+01  0.163262D+01 -0.255737D+01
               136           137           138           139           140 
      1  -0.246406D+01 -0.232894D+01  0.305264D+01 -0.223770D+01 -0.662889D+01
      2   0.346785D+01  0.432704D+01  0.948811D+00  0.272185D+01  0.119157D+02
      3  -0.100379D+01 -0.199810D+01 -0.400145D+01 -0.484155D+00 -0.528685D+01
      4   0.650482D+01 -0.281442D+01  0.231234D+01  0.436643D+01 -0.100879D+01
      5  -0.188350D+01 -0.133895D+01 -0.341125D+01 -0.167297D+01 -0.730775D+00
      6   0.467476D+01 -0.435044D+01  0.324465D+01  0.130986D+01 -0.190310D+01
               141           142           143           144 
      1   0.438743D+00 -0.158468D+01 -0.159434D+01 -0.237933D+00
      2   0.187931D+01  0.159335D+01  0.363888D+01  0.227130D+01
      3  -0.231806D+01 -0.867449D-02 -0.204454D+01 -0.203337D+01
      4   0.676422D+00  0.543627D+01 -0.382285D+01  0.178227D+01
      5  -0.150465D+01 -0.350731D+00 -0.481019D+00 -0.254189D+01
      6   0.409182D+01  0.369345D+01  0.163337D+01  0.255562D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 21:10:40 2021, MaxMem=  5637144576 cpu:           20986.3 elap:            2629.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20656 -19.20655 -19.17421 -19.17421 -19.15408
 Alpha  occ. eigenvalues --  -19.15408 -10.34049 -10.34048 -10.28492 -10.28471
 Alpha  occ. eigenvalues --   -1.15146  -1.14565  -1.08084  -1.07832  -1.06398
 Alpha  occ. eigenvalues --   -1.05281  -0.80609  -0.72790  -0.65037  -0.64939
 Alpha  occ. eigenvalues --   -0.60896  -0.57579  -0.57461  -0.51755  -0.51455
 Alpha  occ. eigenvalues --   -0.49789  -0.48935  -0.46659  -0.45610  -0.45189
 Alpha  occ. eigenvalues --   -0.42092  -0.41544  -0.38054  -0.38043  -0.36438
 Alpha  occ. eigenvalues --   -0.36020  -0.35921  -0.30499  -0.30177
 Alpha virt. eigenvalues --   -0.04742  -0.03396  -0.01060  -0.00714   0.01293
 Alpha virt. eigenvalues --    0.01815   0.04231   0.04325   0.04764   0.05996
 Alpha virt. eigenvalues --    0.06143   0.07918   0.08226   0.09005   0.09487
 Alpha virt. eigenvalues --    0.09490   0.10017   0.10874   0.11592   0.12276
 Alpha virt. eigenvalues --    0.13066   0.13435   0.13611   0.14126   0.15020
 Alpha virt. eigenvalues --    0.15742   0.15824   0.16754   0.18218   0.18778
 Alpha virt. eigenvalues --    0.18928   0.19133   0.19466   0.19846   0.19899
 Alpha virt. eigenvalues --    0.21226   0.21700   0.22034   0.24091   0.24123
 Alpha virt. eigenvalues --    0.24599   0.24983   0.26012   0.26376   0.26833
 Alpha virt. eigenvalues --    0.27084   0.27638   0.27769   0.28363   0.28523
 Alpha virt. eigenvalues --    0.28902   0.30469   0.31741   0.31948   0.32319
 Alpha virt. eigenvalues --    0.32833   0.33026   0.33750   0.34060   0.35293
 Alpha virt. eigenvalues --    0.35854   0.36982   0.37029   0.37501   0.37690
 Alpha virt. eigenvalues --    0.38094   0.39315   0.40641   0.40693   0.41400
 Alpha virt. eigenvalues --    0.42271   0.42566   0.43019   0.43779   0.44708
 Alpha virt. eigenvalues --    0.46068   0.46190   0.46303   0.47224   0.47642
 Alpha virt. eigenvalues --    0.48356   0.49338   0.49647   0.50987   0.51251
 Alpha virt. eigenvalues --    0.52374   0.52443   0.52713   0.53947   0.53993
 Alpha virt. eigenvalues --    0.54675   0.56059   0.56181   0.57178   0.57948
 Alpha virt. eigenvalues --    0.58648   0.59462   0.59707   0.60776   0.61260
 Alpha virt. eigenvalues --    0.61417   0.62723   0.63116   0.65142   0.65916
 Alpha virt. eigenvalues --    0.66417   0.67242   0.67345   0.68109   0.68300
 Alpha virt. eigenvalues --    0.68578   0.69343   0.70704   0.71772   0.72115
 Alpha virt. eigenvalues --    0.72175   0.72429   0.72897   0.74244   0.75954
 Alpha virt. eigenvalues --    0.77027   0.78869   0.79276   0.79722   0.80435
 Alpha virt. eigenvalues --    0.81038   0.82230   0.83119   0.83477   0.85042
 Alpha virt. eigenvalues --    0.87700   0.88457   0.88750   0.90417   0.90758
 Alpha virt. eigenvalues --    0.92178   0.92987   0.94184   0.95038   0.96672
 Alpha virt. eigenvalues --    0.98875   0.99140   0.99533   1.00823   1.03099
 Alpha virt. eigenvalues --    1.03151   1.05881   1.06447   1.08177   1.09574
 Alpha virt. eigenvalues --    1.10238   1.11521   1.11564   1.13067   1.13331
 Alpha virt. eigenvalues --    1.14525   1.15796   1.15929   1.18668   1.18796
 Alpha virt. eigenvalues --    1.21043   1.22849   1.25470   1.26432   1.27620
 Alpha virt. eigenvalues --    1.29359   1.29919   1.31066   1.32498   1.34458
 Alpha virt. eigenvalues --    1.36632   1.37982   1.38061   1.40429   1.45926
 Alpha virt. eigenvalues --    1.47848   1.50501   1.53894   1.54370   1.59564
 Alpha virt. eigenvalues --    1.61452   1.67330   1.68041   1.71424   1.72096
 Alpha virt. eigenvalues --    1.72515   1.75403   1.75946   1.77193   1.79977
 Alpha virt. eigenvalues --    1.81906   1.83175   1.83750   1.86082   1.87931
 Alpha virt. eigenvalues --    1.90379   1.92336   1.93211   1.94565   1.96720
 Alpha virt. eigenvalues --    1.96893   1.98543   1.98992   2.05526   2.06258
 Alpha virt. eigenvalues --    2.07898   2.09623   2.12952   2.14534   2.17713
 Alpha virt. eigenvalues --    2.18613   2.19216   2.20554   2.21162   2.25901
 Alpha virt. eigenvalues --    2.26029   2.27735   2.28613   2.29505   2.30568
 Alpha virt. eigenvalues --    2.32309   2.32377   2.34629   2.37963   2.38899
 Alpha virt. eigenvalues --    2.40676   2.41422   2.41615   2.45762   2.48371
 Alpha virt. eigenvalues --    2.51398   2.52216   2.55930   2.59296   2.65111
 Alpha virt. eigenvalues --    2.66491   2.67058   2.69402   2.71636   2.73536
 Alpha virt. eigenvalues --    2.75520   2.77398   2.79617   2.80258   2.83801
 Alpha virt. eigenvalues --    2.88223   2.88753   2.91061   2.92581   2.95011
 Alpha virt. eigenvalues --    2.95997   2.97807   3.00037   3.04433   3.06436
 Alpha virt. eigenvalues --    3.07321   3.08113   3.10047   3.13223   3.13513
 Alpha virt. eigenvalues --    3.14950   3.15944   3.19471   3.19574   3.20232
 Alpha virt. eigenvalues --    3.21791   3.26395   3.27243   3.28780   3.29742
 Alpha virt. eigenvalues --    3.34426   3.38690   3.39033   3.40286   3.40822
 Alpha virt. eigenvalues --    3.42728   3.42941   3.43761   3.45801   3.47525
 Alpha virt. eigenvalues --    3.49387   3.50221   3.50783   3.51141   3.54640
 Alpha virt. eigenvalues --    3.57315   3.58310   3.60654   3.62863   3.64231
 Alpha virt. eigenvalues --    3.64519   3.67853   3.70244   3.71761   3.82903
 Alpha virt. eigenvalues --    3.85214   3.86691   3.95875   3.96238   4.00521
 Alpha virt. eigenvalues --    4.06129   4.08427   4.08981   4.14583   4.16953
 Alpha virt. eigenvalues --    4.21240   4.24065   4.25769   4.29715   4.31822
 Alpha virt. eigenvalues --    4.52982   4.55749   4.56897   4.64322   4.73778
 Alpha virt. eigenvalues --    4.76741   4.82012   4.86313   4.93506   4.97703
 Alpha virt. eigenvalues --    5.02142   5.14231   5.14510   5.20377   5.21372
 Alpha virt. eigenvalues --    5.21733   5.22418   5.27125   5.28512   5.34398
 Alpha virt. eigenvalues --    5.35255   5.37212   5.38625   5.42762   5.44406
 Alpha virt. eigenvalues --    5.48422   5.48982   5.54085   5.54269   5.54959
 Alpha virt. eigenvalues --    5.55242   5.71940   5.75877   5.76664   5.82826
 Alpha virt. eigenvalues --    5.85325   5.85847   5.89883   5.91391   5.95382
 Alpha virt. eigenvalues --    6.02670   6.03147   6.05848   6.15292   6.17171
 Alpha virt. eigenvalues --    6.26036   6.26495   6.32366   6.32627   6.44000
 Alpha virt. eigenvalues --    6.44373   6.46302   6.49388   6.55449   6.56157
 Alpha virt. eigenvalues --    6.58487   6.58889   6.62965   6.64553   6.72163
 Alpha virt. eigenvalues --    6.72759   6.75866   6.76682   6.79852   6.80561
 Alpha virt. eigenvalues --    6.85638   6.87151   6.91137   6.91263   6.92481
 Alpha virt. eigenvalues --    6.94626   7.07183   7.11829   7.13271   7.13951
 Alpha virt. eigenvalues --    7.20166   7.20978   7.25070   7.26436   7.30789
 Alpha virt. eigenvalues --    7.32967   7.36593   7.37346  22.74499  22.77779
 Alpha virt. eigenvalues --   23.51034  23.55642  44.16117  44.19482  44.20967
 Alpha virt. eigenvalues --   44.26976  44.35169  44.51050
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.385038   0.159693   0.163597  -0.139940   0.084468  -0.089897
     2  O    0.159693   8.537617  -0.099764   0.015089  -0.015319   0.010337
     3  O    0.163597  -0.099764   8.303828  -0.041416   0.001528   0.010228
     4  C   -0.139940   0.015089  -0.041416   5.738753  -0.236820   0.084498
     5  C    0.084468  -0.015319   0.001528  -0.236820   5.738748  -0.140136
     6  C   -0.089897   0.010337   0.010228   0.084498  -0.140136   5.385269
     7  O    0.010338   0.000324   0.002819  -0.015290   0.015062   0.159675
     8  O    0.076572  -0.003977  -0.046248  -0.211916   0.098020  -0.062798
     9  O   -0.062779  -0.057016  -0.000510   0.097988  -0.211895   0.076606
    10  O    0.010229   0.002818  -0.000849   0.001527  -0.041412   0.163586
    11  H   -0.087355   0.009440   0.007600   0.384770  -0.063755   0.039388
    12  H    0.039379  -0.001962  -0.000684  -0.063747   0.384756  -0.087376
    13  H   -0.003256  -0.000468   0.000416  -0.011378  -0.060002   0.075339
    14  H    0.075336   0.015938   0.159783  -0.060004  -0.011376  -0.003257
    15  H   -0.012141  -0.000173   0.005572   0.025208   0.017835  -0.004523
    16  H   -0.004534   0.030151   0.003997   0.017856   0.025209  -0.012147
               7          8          9         10         11         12
     1  C    0.010338   0.076572  -0.062779   0.010229  -0.087355   0.039379
     2  O    0.000324  -0.003977  -0.057016   0.002818   0.009440  -0.001962
     3  O    0.002819  -0.046248  -0.000510  -0.000849   0.007600  -0.000684
     4  C   -0.015290  -0.211916   0.097988   0.001527   0.384770  -0.063747
     5  C    0.015062   0.098020  -0.211895  -0.041412  -0.063755   0.384756
     6  C    0.159675  -0.062798   0.076606   0.163586   0.039388  -0.087376
     7  O    8.537657  -0.057029  -0.003979  -0.099760  -0.001966   0.009456
     8  O   -0.057029   8.788604   0.001252  -0.000510  -0.157368   0.030873
     9  O   -0.003979   0.001252   8.788567  -0.046241   0.030876  -0.157411
    10  O   -0.099760  -0.000510  -0.046241   8.303822  -0.000684   0.007598
    11  H   -0.001966  -0.157368   0.030876  -0.000684   0.704580  -0.041602
    12  H    0.009456   0.030873  -0.157411   0.007598  -0.041602   0.704674
    13  H    0.015937  -0.000716   0.065403   0.159791   0.000146  -0.011394
    14  H   -0.000470   0.065402  -0.000717   0.000416  -0.011391   0.000146
    15  H    0.030143   0.182344  -0.001564   0.003997   0.002588  -0.019475
    16  H   -0.000171  -0.001564   0.182346   0.005571  -0.019476   0.002601
              13         14         15         16
     1  C   -0.003256   0.075336  -0.012141  -0.004534
     2  O   -0.000468   0.015938  -0.000173   0.030151
     3  O    0.000416   0.159783   0.005572   0.003997
     4  C   -0.011378  -0.060004   0.025208   0.017856
     5  C   -0.060002  -0.011376   0.017835   0.025209
     6  C    0.075339  -0.003257  -0.004523  -0.012147
     7  O    0.015937  -0.000470   0.030143  -0.000171
     8  O   -0.000716   0.065402   0.182344  -0.001564
     9  O    0.065403  -0.000717  -0.001564   0.182346
    10  O    0.159791   0.000416   0.003997   0.005571
    11  H    0.000146  -0.011391   0.002588  -0.019476
    12  H   -0.011394   0.000146  -0.019475   0.002601
    13  H    0.398179  -0.000045   0.000568   0.004374
    14  H   -0.000045   0.398178   0.004380   0.000567
    15  H    0.000568   0.004380   0.373576  -0.000447
    16  H    0.004374   0.000567  -0.000447   0.373619
 Mulliken charges:
               1
     1  C    0.395252
     2  O   -0.602727
     3  O   -0.469897
     4  C    0.414822
     5  C    0.415088
     6  C    0.395208
     7  O   -0.602745
     8  O   -0.700939
     9  O   -0.700926
    10  O   -0.469895
    11  H    0.204211
    12  H    0.204167
    13  H    0.367106
    14  H    0.367115
    15  H    0.392112
    16  H    0.392050
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.395252
     2  O   -0.602727
     3  O   -0.102782
     4  C    0.619032
     5  C    0.619255
     6  C    0.395208
     7  O   -0.602745
     8  O   -0.308827
     9  O   -0.308877
    10  O   -0.102790
 Electronic spatial extent (au):  <R**2>=           1291.9343
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=             -0.0003    Z=              2.3988  Tot=              2.3988
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -59.1452   YY=            -62.3768   ZZ=            -60.4969
   XY=             -5.5836   XZ=             -0.0004   YZ=             -0.0005
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5277   YY=             -1.7038   ZZ=              0.1761
   XY=             -5.5836   XZ=             -0.0004   YZ=             -0.0005
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0006  YYY=             -0.0033  ZZZ=              2.6851  XYY=             -0.0000
  XXY=              0.0002  XXZ=             10.6894  XZZ=             -0.0003  YZZ=              0.0002
  YYZ=             -4.1893  XYZ=             14.3855
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -813.0333 YYYY=           -456.5068 ZZZZ=           -267.9851 XXXY=            -38.9966
 XXXZ=             -0.0027 YYYX=            -28.8117 YYYZ=             -0.0038 ZZZX=             -0.0005
 ZZZY=              0.0009 XXYY=           -210.6787 XXZZ=           -194.4489 YYZZ=           -138.0560
 XXYZ=              0.0016 YYXZ=             -0.0010 ZZXY=              3.0065
 N-N= 5.913629296224D+02 E-N=-2.610918629567D+03  KE= 6.050452048836D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 21:10:41 2021, MaxMem=  5637144576 cpu:               3.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.19188643D-05-1.01865537D-04 9.35564656D-01
 Polarizability= 6.82333002D+01-5.89844644D+00 7.18317221D+01
                -2.96794281D-04 1.99158540D-04 5.71173438D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0001    0.0001       -3.0221   -3.0221
 2     -0.0001   -0.0001       -0.0001   -0.0001        1.8552    1.8536
 3      3.0221    3.0221        5.7506    5.7532        0.0001    0.0001
 4      0.0001    0.0001       -0.0000    0.0000        3.0222    3.0221
 5     -7.6059   -7.6068       -3.0222   -3.0221        0.0001    0.0001
 6     -0.0001   -0.0001       -0.0001   -0.0001       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0004   -0.0004       -9.0662   -9.0662
 2      0.0003    0.0003        0.0000    0.0000       -9.0662   -9.0662
 3      0.0003    0.0003       -0.0004   -0.0004       -0.0000    0.0000
 4     -0.0004   -0.0004       -0.0003   -0.0003        5.5607    5.5607
 5      9.0662    9.0662       17.2596   17.2596        0.0003    0.0003
 6    -22.8203  -22.8203       -9.0662   -9.0662        0.0004    0.0004
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0001    0.0000       -0.0005   -0.0005       12.0905   12.0883
 2      0.0005    0.0005        0.0004    0.0004       -7.4151   -7.4143
 3    -12.0576  -12.0883      -23.0733  -23.0128       -0.0004   -0.0004
 4     -0.0004   -0.0004       -0.0000    0.0000      -12.0710  -12.0883
 5     30.4155   30.4270       12.1266   12.0883       -0.0005   -0.0005
 6      0.0004    0.0004        0.0005    0.0005        0.0273    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0004    0.0004       22.2951   22.3362
 2     -0.0004   -0.0004       -0.0007   -0.0007       38.3531   38.3387
 3    -22.2961  -22.3362      -15.7482  -15.8350        0.0006    0.0007
 4      0.0007    0.0007        0.0000    0.0000      -22.2914  -22.3362
 5    -22.4569  -22.5037       22.4029   22.3362        0.0004    0.0004
 6     -0.0007   -0.0007       -0.0004   -0.0004       -0.0245    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0008    0.0008       -0.0020   -0.0021      -22.3576  -22.2279
 2      0.0010    0.0010       -0.0032   -0.0032      -22.2629  -22.2279
 3      0.0010    0.0010       -0.0020   -0.0021      -42.1880  -42.1627
 4      0.0012    0.0011       -0.0002   -0.0002       45.7647   45.6729
 5    -19.9679  -19.9347      -14.0083  -14.0376        0.0001    0.0002
 6    -31.6575  -31.6353       20.0231   19.9347       -0.0011   -0.0011
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5824   -4.8554   -2.4419    0.0002    0.0005    0.0006
 Low frequencies ---   60.1483   80.2874   98.5271
 Diagonal vibrational polarizability:
       56.9005948      18.0374059      31.6821870
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     60.1483                80.2874                98.5269
 Red. masses --      9.4010                11.0952                10.0636
 Frc consts  --      0.0200                 0.0421                 0.0576
 IR Inten    --      1.4532                 0.3799                 4.5348
 RamAct Fr= 1--      1.3285                 0.9355                 0.5621
  Dep-P Fr= 1--      0.7464                 0.7110                 0.7500
  Dep-U Fr= 1--      0.8548                 0.8311                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0000
 Beta2  Fr= 1--      0.1893                 0.1296                 0.0803
 AlphaG Fr= 1--      0.0019                 0.0008                -0.0000
 Gamma2 Fr= 1--     -0.2949                -0.0892                 0.0490
 Delta2 Fr= 1--     -0.0825                -0.0340                 0.0327
 Raman1 Fr= 1--       5.314                  3.742                  2.248
 ROA1   Fr= 1--     -30.945                 -9.650                  5.752
 CID1   Fr= 1--      -5.823                 -2.579                  2.558
 Raman2 Fr= 1--       2.271                  1.555                  0.964
 ROA2   Fr= 1--      -6.417                 -1.869                  0.914
 CID2   Fr= 1--      -2.825                 -1.202                  0.949
 Raman3 Fr= 1--       4.542                  3.110                  1.927
 ROA3   Fr= 1--     -30.945                 -9.650                  5.752
 CID3   Fr= 1--      -6.813                 -3.103                  2.985
 RC180  Fr= 1--       0.710                  0.662                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.04    -0.17  -0.07   0.05     0.04  -0.01  -0.05
     2   8    -0.19  -0.20   0.30    -0.23  -0.09   0.09     0.28   0.09  -0.22
     3   8     0.22  -0.02  -0.22    -0.32  -0.13   0.20    -0.26  -0.18   0.19
     4   6    -0.01  -0.00  -0.00     0.01   0.03  -0.11     0.00   0.05  -0.05
     5   6     0.01   0.00  -0.00    -0.01  -0.03  -0.11     0.00   0.05   0.05
     6   6     0.01   0.08   0.04     0.17   0.07   0.05     0.04  -0.01   0.05
     7   8     0.19   0.20   0.30     0.23   0.09   0.09     0.28   0.09   0.22
     8   8    -0.02  -0.01  -0.09     0.05   0.04  -0.24    -0.03   0.05  -0.14
     9   8     0.02   0.01  -0.09    -0.05  -0.04  -0.24    -0.03   0.05   0.14
    10   8    -0.22   0.02  -0.22     0.32   0.13   0.20    -0.26  -0.18  -0.19
    11   1     0.01   0.04   0.02     0.04   0.15  -0.03    -0.04   0.10  -0.05
    12   1    -0.01  -0.04   0.02    -0.04  -0.15  -0.03    -0.04   0.10   0.05
    13   1    -0.30  -0.03  -0.33     0.21   0.09   0.10    -0.33  -0.18  -0.19
    14   1     0.30   0.03  -0.33    -0.21  -0.09   0.10    -0.33  -0.18   0.19
    15   1     0.12   0.01   0.08     0.10  -0.02  -0.23     0.02   0.06  -0.07
    16   1    -0.12  -0.01   0.08    -0.10   0.02  -0.23     0.02   0.06   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    235.6803               258.0366               313.1501
 Red. masses --      7.0100                 7.0185                 6.1835
 Frc consts  --      0.2294                 0.2753                 0.3573
 IR Inten    --      1.1777                45.7005                27.4254
 RamAct Fr= 1--      0.6453                 0.0201                 1.1808
  Dep-P Fr= 1--      0.2020                 0.7500                 0.1241
  Dep-U Fr= 1--      0.3362                 0.8571                 0.2208
 Alpha2 Fr= 1--      0.0087                 0.0000                 0.0195
 Beta2  Fr= 1--      0.0362                 0.0029                 0.0435
 AlphaG Fr= 1--     -0.0134                -0.0000                -0.0038
 Gamma2 Fr= 1--     -0.2106                 0.0909                 0.3498
 Delta2 Fr= 1--     -0.1398                -0.0064                 0.1945
 Raman1 Fr= 1--       2.581                  0.080                  4.723
 ROA1   Fr= 1--     -24.690                  8.517                 39.810
 CID1   Fr= 1--      -9.566                105.868                  8.429
 Raman2 Fr= 1--       0.434                  0.034                  0.521
 ROA2   Fr= 1--      -3.936                  2.232                  6.840
 CID2   Fr= 1--      -9.073                 64.727                 13.117
 Raman3 Fr= 1--       0.868                  0.069                  1.043
 ROA3   Fr= 1--     -24.690                  8.517                 39.810
 CID3   Fr= 1--     -28.456                123.513                 38.172
 RC180  Fr= 1--      -0.328                  0.714                 -0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09     0.04   0.02   0.07     0.03  -0.08   0.05
     2   8     0.23   0.04   0.06     0.19   0.03   0.13    -0.04  -0.05  -0.11
     3   8     0.09  -0.08   0.04     0.03  -0.14  -0.08     0.15   0.15   0.19
     4   6     0.02   0.11   0.08    -0.04   0.07   0.08     0.00  -0.09   0.07
     5   6    -0.02  -0.11   0.08    -0.04   0.07  -0.08    -0.00   0.09   0.07
     6   6    -0.11  -0.01   0.09     0.04   0.02  -0.07    -0.03   0.08   0.05
     7   8    -0.23  -0.04   0.06     0.19   0.03  -0.13     0.04   0.05  -0.11
     8   8     0.18   0.14  -0.22    -0.19   0.04   0.26    -0.12  -0.09  -0.18
     9   8    -0.18  -0.14  -0.22    -0.19   0.04  -0.26     0.12   0.09  -0.18
    10   8    -0.09   0.08   0.04     0.03  -0.14   0.08    -0.15  -0.15   0.19
    11   1    -0.09   0.30   0.12     0.06  -0.06   0.07    -0.00  -0.00   0.11
    12   1     0.09  -0.30   0.12     0.06  -0.06  -0.07     0.00   0.00   0.11
    13   1    -0.07   0.04  -0.03    -0.21  -0.12   0.12    -0.36  -0.07   0.37
    14   1     0.07  -0.04  -0.03    -0.21  -0.12  -0.12     0.36   0.07   0.37
    15   1     0.26  -0.08  -0.31    -0.28   0.20   0.30    -0.08  -0.10  -0.15
    16   1    -0.26   0.08  -0.31    -0.28   0.20  -0.30     0.08   0.10  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    316.8206               383.7256               436.0389
 Red. masses --      6.5230                 9.9559                 6.7727
 Frc consts  --      0.3858                 0.8637                 0.7587
 IR Inten    --     17.3903                 0.5802                31.4800
 RamAct Fr= 1--      0.0666                 2.3563                 1.0539
  Dep-P Fr= 1--      0.7500                 0.7264                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8415                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0000
 Beta2  Fr= 1--      0.0095                 0.3305                 0.1506
 AlphaG Fr= 1--      0.0000                -0.0057                -0.0000
 Gamma2 Fr= 1--     -0.0330                -0.1372                 1.2884
 Delta2 Fr= 1--     -0.0250                -0.2218                 0.4843
 Raman1 Fr= 1--       0.266                  9.425                  4.216
 ROA1   Fr= 1--      -3.972                -20.274                139.188
 CID1   Fr= 1--     -14.916                 -2.151                 33.017
 Raman2 Fr= 1--       0.114                  3.966                  1.807
 ROA2   Fr= 1--      -0.593                 -1.519                 27.048
 CID2   Fr= 1--      -5.199                 -0.383                 14.971
 Raman3 Fr= 1--       0.228                  7.932                  3.613
 ROA3   Fr= 1--      -3.972                -20.274                139.188
 CID3   Fr= 1--     -17.402                 -2.556                 38.520
 RC180  Fr= 1--       0.714                  0.683                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.08     0.05  -0.18  -0.05     0.17   0.02  -0.19
     2   8    -0.02   0.03   0.03    -0.09  -0.18  -0.18    -0.17  -0.11  -0.03
     3   8    -0.16  -0.11  -0.17     0.08  -0.09   0.06    -0.05  -0.07   0.04
     4   6    -0.05   0.01  -0.05     0.07  -0.10   0.02     0.24   0.12  -0.18
     5   6    -0.05   0.01   0.05    -0.07   0.10   0.02     0.24   0.12   0.18
     6   6    -0.06   0.05   0.08    -0.05   0.18  -0.05     0.17   0.02   0.19
     7   8    -0.02   0.03  -0.03     0.09   0.18  -0.18    -0.17  -0.11   0.03
     8   8     0.29   0.04   0.13     0.37  -0.09   0.14    -0.08   0.07   0.09
     9   8     0.29   0.04  -0.13    -0.37   0.09   0.14    -0.08   0.07  -0.09
    10   8    -0.16  -0.11   0.17    -0.08   0.09   0.06    -0.05  -0.07  -0.04
    11   1    -0.18  -0.01  -0.11     0.04  -0.12  -0.01     0.13  -0.07  -0.32
    12   1    -0.18  -0.01   0.11    -0.04   0.12  -0.01     0.13  -0.07   0.32
    13   1    -0.30  -0.04   0.33    -0.15   0.10   0.07     0.03  -0.03   0.06
    14   1    -0.30  -0.04  -0.33     0.15  -0.10   0.07     0.03  -0.03  -0.06
    15   1     0.24  -0.06  -0.01     0.33  -0.16   0.01    -0.16   0.28   0.17
    16   1     0.24  -0.06   0.01    -0.33   0.16   0.01    -0.16   0.28  -0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    523.9481               540.3329               588.7258
 Red. masses --      4.9972                 7.8581                 6.2214
 Frc consts  --      0.8083                 1.3517                 1.2705
 IR Inten    --      9.0176                 1.6826                 0.3915
 RamAct Fr= 1--      4.2271                 2.2846                 5.0385
  Dep-P Fr= 1--      0.0837                 0.7500                 0.3278
  Dep-U Fr= 1--      0.1545                 0.8571                 0.4937
 Alpha2 Fr= 1--      0.0770                 0.0000                 0.0475
 Beta2  Fr= 1--      0.1088                 0.3264                 0.4146
 AlphaG Fr= 1--     -0.0265                -0.0000                 0.0750
 Gamma2 Fr= 1--      0.8249                -1.0102                -0.2977
 Delta2 Fr= 1--      0.3670                 0.1697                -0.9003
 Raman1 Fr= 1--      16.908                  9.138                 20.154
 ROA1   Fr= 1--      90.939                -91.551                -57.391
 CID1   Fr= 1--       5.378                -10.018                 -2.848
 Raman2 Fr= 1--       1.306                  3.916                  4.975
 ROA2   Fr= 1--      16.863                -25.603                  0.056
 CID2   Fr= 1--      12.910                 -6.537                  0.011
 Raman3 Fr= 1--       2.612                  7.833                  9.950
 ROA3   Fr= 1--      90.939                -91.551                -57.391
 CID3   Fr= 1--      34.811                -11.688                 -5.768
 RC180  Fr= 1--      -0.691                  0.714                 -0.013
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05   0.14    -0.08  -0.18   0.13    -0.12   0.05   0.07
     2   8    -0.09   0.05  -0.15    -0.10  -0.08  -0.26     0.08   0.11   0.09
     3   8     0.01  -0.07  -0.12     0.12  -0.10  -0.01    -0.07   0.05  -0.08
     4   6    -0.07   0.02   0.25    -0.03   0.13   0.16    -0.02  -0.16   0.04
     5   6     0.07  -0.02   0.25    -0.03   0.13  -0.16     0.02   0.16   0.04
     6   6     0.12   0.05   0.14    -0.08  -0.18  -0.13     0.12  -0.05   0.07
     7   8     0.09  -0.05  -0.15    -0.10  -0.08   0.26    -0.08  -0.11   0.09
     8   8    -0.03   0.05  -0.02     0.05   0.21   0.07     0.11  -0.28  -0.08
     9   8     0.03  -0.05  -0.02     0.05   0.21  -0.07    -0.11   0.28  -0.08
    10   8    -0.01   0.07  -0.12     0.12  -0.10   0.01     0.07  -0.05  -0.08
    11   1    -0.06   0.20   0.33     0.18   0.28   0.33     0.15  -0.25   0.08
    12   1     0.06  -0.20   0.33     0.18   0.28  -0.33    -0.15   0.25   0.08
    13   1     0.28   0.08  -0.12    -0.00  -0.12  -0.02     0.12  -0.05  -0.07
    14   1    -0.28  -0.08  -0.12    -0.00  -0.12   0.02    -0.12   0.05  -0.07
    15   1    -0.12  -0.10  -0.25     0.09   0.06  -0.01     0.16  -0.40  -0.12
    16   1     0.12   0.10  -0.25     0.09   0.06   0.01    -0.16   0.40  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    616.0253               674.3790               684.6102
 Red. masses --      3.7552                 1.1527                 1.1051
 Frc consts  --      0.8396                 0.3089                 0.3052
 IR Inten    --      4.0828                 4.1135               182.2890
 RamAct Fr= 1--      1.3673                 1.0143                 0.2642
  Dep-P Fr= 1--      0.7500                 0.6832                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8118                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0000
 Beta2  Fr= 1--      0.1953                 0.1372                 0.0377
 AlphaG Fr= 1--      0.0000                 0.0240                 0.0000
 Gamma2 Fr= 1--      1.1839                -0.5636                -0.1587
 Delta2 Fr= 1--      0.3551                -0.0329                 0.1534
 Raman1 Fr= 1--       5.469                  4.057                  1.057
 ROA1   Fr= 1--     125.019                -55.156                -10.329
 CID1   Fr= 1--      22.859                -13.594                 -9.776
 Raman2 Fr= 1--       2.344                  1.647                  0.453
 ROA2   Fr= 1--      25.574                -13.262                 -5.036
 CID2   Fr= 1--      10.911                 -8.053                -11.121
 Raman3 Fr= 1--       4.688                  3.294                  0.906
 ROA3   Fr= 1--     125.019                -55.156                -10.329
 CID3   Fr= 1--      26.669                -16.745                -11.405
 RC180  Fr= 1--       0.714                  0.624                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07   0.10     0.00   0.01  -0.00    -0.01   0.01   0.02
     2   8    -0.07   0.12  -0.04    -0.00   0.01  -0.03    -0.01   0.02  -0.00
     3   8    -0.02  -0.07  -0.10    -0.03  -0.03   0.01    -0.02  -0.02   0.00
     4   6     0.19  -0.01   0.08    -0.01  -0.01   0.04     0.01  -0.01   0.02
     5   6     0.19  -0.01  -0.08     0.01   0.01   0.04     0.01  -0.01  -0.02
     6   6    -0.01   0.07  -0.10    -0.00  -0.01  -0.00    -0.01   0.01  -0.02
     7   8    -0.07   0.12   0.04     0.00  -0.01  -0.03    -0.01   0.02   0.00
     8   8    -0.03  -0.10  -0.06    -0.02  -0.00  -0.02    -0.01  -0.01  -0.03
     9   8    -0.03  -0.10   0.06     0.02   0.00  -0.02    -0.01  -0.01   0.03
    10   8    -0.02  -0.07   0.10     0.03   0.03   0.01    -0.02  -0.02  -0.00
    11   1     0.37  -0.01   0.17    -0.05  -0.01   0.02     0.05  -0.03   0.02
    12   1     0.37  -0.01  -0.17     0.04   0.01   0.02     0.05  -0.03  -0.02
    13   1    -0.37  -0.06   0.13    -0.32  -0.13  -0.33     0.30   0.13   0.33
    14   1    -0.37  -0.06  -0.13     0.31   0.13  -0.33     0.31   0.14  -0.34
    15   1    -0.18  -0.03  -0.19     0.29   0.04   0.42     0.29   0.07   0.43
    16   1    -0.18  -0.03   0.19    -0.30  -0.04   0.42     0.28   0.07  -0.43
                     16                     17                     18
                      A                      A                      A
 Frequencies --    731.6679               806.7160               816.6370
 Red. masses --      6.9600                 6.1376                 5.2323
 Frc consts  --      2.1953                 2.3534                 2.0559
 IR Inten    --      0.2850                 5.7443                 1.0486
 RamAct Fr= 1--      3.3802                 2.0252                 7.5444
  Dep-P Fr= 1--      0.0291                 0.7500                 0.0411
  Dep-U Fr= 1--      0.0566                 0.8571                 0.0789
 Alpha2 Fr= 1--      0.0702                 0.0000                 0.1522
 Beta2  Fr= 1--      0.0319                 0.2893                 0.0992
 AlphaG Fr= 1--      0.0110                 0.0000                 0.1162
 Gamma2 Fr= 1--      0.8244                -0.9944                 0.0578
 Delta2 Fr= 1--     -0.0476                -0.6109                -0.1193
 Raman1 Fr= 1--      13.521                  8.101                 30.178
 ROA1   Fr= 1--      77.619               -115.009                  1.735
 CID1   Fr= 1--       5.741                -14.197                  0.057
 Raman2 Fr= 1--       0.383                  3.472                  1.191
 ROA2   Fr= 1--      20.167                -18.977                  2.342
 CID2   Fr= 1--      52.713                 -5.466                  1.967
 Raman3 Fr= 1--       0.765                  6.943                  2.382
 ROA3   Fr= 1--      77.619               -115.009                  1.735
 CID3   Fr= 1--     101.443                -16.564                  0.728
 RC180  Fr= 1--      -0.887                  0.714                 -0.842
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.32   0.20  -0.07     0.22   0.14   0.04    -0.08   0.00   0.24
     2   8    -0.18   0.11   0.02    -0.14   0.12  -0.01    -0.03   0.13  -0.06
     3   8     0.04  -0.15   0.04     0.13  -0.17   0.11     0.14  -0.11   0.04
     4   6     0.07  -0.01   0.08    -0.19  -0.03   0.00     0.09   0.02  -0.23
     5   6    -0.07   0.01   0.08    -0.19  -0.03  -0.00    -0.09  -0.02  -0.23
     6   6    -0.32  -0.20  -0.07     0.22   0.14  -0.04     0.08  -0.00   0.24
     7   8     0.18  -0.11   0.02    -0.14   0.12   0.01     0.03  -0.13  -0.06
     8   8    -0.01  -0.11  -0.05     0.02  -0.02  -0.01    -0.01  -0.02   0.02
     9   8     0.01   0.11  -0.05     0.02  -0.02   0.01     0.01   0.02   0.02
    10   8    -0.04   0.15   0.04     0.13  -0.17  -0.11    -0.14   0.11   0.04
    11   1    -0.20  -0.12  -0.10    -0.43  -0.07  -0.12     0.47  -0.04  -0.07
    12   1     0.20   0.12  -0.10    -0.43  -0.07   0.12    -0.47   0.04  -0.07
    13   1     0.37   0.09  -0.12    -0.17  -0.06   0.15     0.01  -0.01  -0.22
    14   1    -0.37  -0.09  -0.12    -0.17  -0.06  -0.15    -0.01   0.01  -0.22
    15   1    -0.11  -0.08  -0.15     0.08  -0.17  -0.06    -0.05   0.18   0.13
    16   1     0.11   0.08  -0.15     0.08  -0.17   0.06     0.05  -0.18   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    825.3659               832.5993               951.4980
 Red. masses --      1.0668                 1.0520                 5.9019
 Frc consts  --      0.4282                 0.4297                 3.1482
 IR Inten    --      5.9392               145.2044                44.2832
 RamAct Fr= 1--      0.7526                 0.1257                 0.2509
  Dep-P Fr= 1--      0.7500                 0.0895                 0.7500
  Dep-U Fr= 1--      0.8571                 0.1643                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0023                 0.0000
 Beta2  Fr= 1--      0.1075                 0.0034                 0.0358
 AlphaG Fr= 1--     -0.0000                -0.0220                -0.0000
 Gamma2 Fr= 1--      0.3365                 0.0965                 0.4233
 Delta2 Fr= 1--     -0.0737                 0.0174                 0.0290
 Raman1 Fr= 1--       3.010                  0.503                  1.004
 ROA1   Fr= 1--      29.941                  9.822                 41.569
 CID1   Fr= 1--       9.946                 19.530                 41.412
 Raman2 Fr= 1--       1.290                  0.041                  0.430
 ROA2   Fr= 1--       8.665                  2.178                  9.928
 CID2   Fr= 1--       6.716                 52.724                 23.077
 Raman3 Fr= 1--       2.580                  0.083                  0.860
 ROA3   Fr= 1--      29.941                  9.822                 41.569
 CID3   Fr= 1--      11.604                118.900                 48.314
 RC180  Fr= 1--       0.714                 -0.671                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.19  -0.05   0.21
     2   8     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.08  -0.03
     3   8    -0.02  -0.01   0.02     0.02   0.01  -0.02     0.10  -0.04   0.02
     4   6     0.00   0.00   0.01     0.00   0.00   0.00     0.04   0.00  -0.33
     5   6     0.00   0.00  -0.01    -0.00  -0.00   0.00     0.04   0.00   0.33
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.19  -0.05  -0.21
     7   8     0.01   0.01   0.01     0.00   0.00  -0.00     0.01   0.08   0.03
     8   8     0.00  -0.00   0.03    -0.00   0.00  -0.03     0.01  -0.02   0.03
     9   8     0.00  -0.00  -0.03     0.00  -0.00  -0.03     0.01  -0.02  -0.03
    10   8    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02     0.10  -0.04  -0.02
    11   1    -0.00   0.02   0.01     0.02   0.00   0.01    -0.18   0.06  -0.40
    12   1    -0.00   0.02  -0.01    -0.02  -0.00   0.01    -0.18   0.06   0.40
    13   1     0.37   0.16   0.34     0.36   0.16   0.33    -0.01  -0.00   0.07
    14   1     0.36   0.15  -0.34    -0.36  -0.16   0.34    -0.01  -0.00  -0.07
    15   1    -0.27  -0.08  -0.38     0.27   0.07   0.39    -0.16   0.24   0.04
    16   1    -0.27  -0.08   0.39    -0.27  -0.07   0.39    -0.16   0.24  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1061.4013              1099.3324              1116.3428
 Red. masses --      3.2926                 7.1915                 2.6612
 Frc consts  --      2.1855                 5.1207                 1.9540
 IR Inten    --     15.4596               148.7553                 1.3768
 RamAct Fr= 1--      2.0902                 0.1122                 3.8094
  Dep-P Fr= 1--      0.6466                 0.7500                 0.5202
  Dep-U Fr= 1--      0.7854                 0.8571                 0.6844
 Alpha2 Fr= 1--      0.0039                 0.0000                 0.0171
 Beta2  Fr= 1--      0.2736                 0.0160                 0.4345
 AlphaG Fr= 1--      0.0184                 0.0000                -0.0056
 Gamma2 Fr= 1--     -0.2752                 0.0841                 0.1708
 Delta2 Fr= 1--      0.2680                 0.1071                 0.9361
 Raman1 Fr= 1--       8.361                  0.449                 15.238
 ROA1   Fr= 1--     -17.843                 11.499                 46.353
 CID1   Fr= 1--      -2.134                 25.633                  3.042
 Raman2 Fr= 1--       3.283                  0.192                  5.214
 ROA2   Fr= 1--      -8.748                  1.160                 -3.390
 CID2   Fr= 1--      -2.665                  6.036                 -0.650
 Raman3 Fr= 1--       6.566                  0.385                 10.429
 ROA3   Fr= 1--     -17.843                 11.499                 46.353
 CID3   Fr= 1--      -2.717                 29.905                  4.445
 RC180  Fr= 1--       0.571                  0.714                  0.369
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.02     0.03  -0.03   0.01    -0.02  -0.02   0.03
     2   8     0.02  -0.05  -0.01     0.01  -0.05  -0.02     0.00  -0.01  -0.01
     3   8    -0.07   0.06  -0.05    -0.00   0.04   0.01     0.02   0.01   0.02
     4   6     0.25   0.10   0.06    -0.10   0.39   0.01    -0.09   0.19  -0.04
     5   6    -0.25  -0.10   0.06    -0.10   0.39  -0.01     0.09  -0.19  -0.04
     6   6    -0.05   0.03   0.02     0.03  -0.03  -0.01     0.02   0.02   0.03
     7   8    -0.02   0.05  -0.01     0.01  -0.05   0.02    -0.00   0.01  -0.01
     8   8    -0.01  -0.07  -0.02     0.05  -0.28   0.00     0.02  -0.14   0.01
     9   8     0.01   0.07  -0.02     0.06  -0.29  -0.00    -0.02   0.13   0.01
    10   8     0.07  -0.06  -0.05    -0.00   0.04  -0.01    -0.02  -0.01   0.02
    11   1     0.36   0.27   0.20    -0.04   0.44   0.07    -0.51   0.36  -0.15
    12   1    -0.36  -0.27   0.20    -0.04   0.44  -0.07     0.51  -0.36  -0.15
    13   1     0.02  -0.06  -0.06    -0.07   0.07   0.10     0.02  -0.02  -0.02
    14   1    -0.02   0.06  -0.06    -0.07   0.07  -0.10    -0.02   0.02  -0.02
    15   1    -0.20   0.32   0.08    -0.05   0.07   0.17    -0.07   0.09   0.09
    16   1     0.20  -0.32   0.08    -0.05   0.07  -0.17     0.07  -0.09   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1229.7973              1234.4758              1263.7074
 Red. masses --      2.1232                 1.9832                 1.5577
 Frc consts  --      1.8919                 1.7807                 1.4656
 IR Inten    --     16.9145                 0.5649                 0.0004
 RamAct Fr= 1--      1.2068                18.4250                 2.7456
  Dep-P Fr= 1--      0.7500                 0.2253                 0.7098
  Dep-U Fr= 1--      0.8571                 0.3678                 0.8303
 Alpha2 Fr= 1--      0.0000                 0.2338                 0.0019
 Beta2  Fr= 1--      0.1724                 1.1293                 0.3799
 AlphaG Fr= 1--      0.0000                -0.0072                 0.0095
 Gamma2 Fr= 1--     -1.6580                 6.5313                -0.3487
 Delta2 Fr= 1--     -2.3106                 3.4738                -1.8328
 Raman1 Fr= 1--       4.827                 73.700                 10.983
 ROA1   Fr= 1--    -233.105                738.169                -92.127
 CID1   Fr= 1--     -48.290                 10.016                 -8.388
 Raman2 Fr= 1--       2.069                 13.552                  4.559
 ROA2   Fr= 1--     -21.307                128.962                  6.294
 CID2   Fr= 1--     -10.299                  9.516                  1.380
 Raman3 Fr= 1--       4.138                 27.104                  9.118
 ROA3   Fr= 1--    -233.105                738.169                -92.127
 CID3   Fr= 1--     -56.338                 27.235                -10.103
 RC180  Fr= 1--       0.714                 -0.264                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.03  -0.13     0.11  -0.02   0.09    -0.01  -0.03   0.06
     2   8    -0.01   0.07   0.03     0.01  -0.07  -0.02     0.01   0.01  -0.00
     3   8     0.04  -0.08   0.01    -0.03   0.07   0.01    -0.01   0.02  -0.02
     4   6     0.00   0.02   0.02    -0.07   0.01  -0.03     0.10  -0.09  -0.00
     5   6     0.00   0.02  -0.02     0.07  -0.01  -0.03    -0.10   0.09  -0.00
     6   6    -0.11   0.03   0.13    -0.11   0.02   0.09     0.01   0.03   0.06
     7   8    -0.01   0.07  -0.03    -0.01   0.07  -0.02    -0.01  -0.01  -0.00
     8   8     0.02  -0.02  -0.00    -0.00   0.01  -0.00     0.00   0.03  -0.01
     9   8     0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.00  -0.03  -0.01
    10   8     0.04  -0.08  -0.01     0.03  -0.07   0.01     0.01  -0.02  -0.02
    11   1     0.09   0.13   0.11     0.14  -0.15  -0.00    -0.58  -0.04  -0.29
    12   1     0.09   0.13  -0.11    -0.14   0.15  -0.00     0.58   0.04  -0.29
    13   1     0.44  -0.23  -0.38     0.44  -0.23  -0.39     0.11  -0.04  -0.07
    14   1     0.44  -0.23   0.38    -0.44   0.23  -0.39    -0.11   0.04  -0.07
    15   1    -0.07   0.13   0.02     0.07  -0.09   0.00    -0.07   0.15   0.03
    16   1    -0.07   0.13  -0.02    -0.07   0.09   0.00     0.07  -0.15   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.7484              1331.8815              1350.0539
 Red. masses --      1.1639                 1.4539                 1.3906
 Frc consts  --      1.1178                 1.5196                 1.4933
 IR Inten    --     35.6060                 0.0000               272.4235
 RamAct Fr= 1--      2.0847                 4.4855                 0.0863
  Dep-P Fr= 1--      0.7500                 0.7463                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8547                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0000
 Beta2  Fr= 1--      0.2978                 0.6390                 0.0123
 AlphaG Fr= 1--     -0.0000                 0.0042                 0.0000
 Gamma2 Fr= 1--      1.4247                 0.2937                -0.3013
 Delta2 Fr= 1--      0.9848                 0.8100                -0.0546
 Raman1 Fr= 1--       8.339                 17.942                  0.345
 ROA1   Fr= 1--     168.288                 54.113                -30.671
 CID1   Fr= 1--      20.181                  3.016                -88.849
 Raman2 Fr= 1--       3.574                  7.668                  0.148
 ROA2   Fr= 1--      26.316                  0.568                 -6.794
 CID2   Fr= 1--       7.364                  0.074                -45.923
 Raman3 Fr= 1--       7.148                 15.335                  0.296
 ROA3   Fr= 1--     168.288                 54.113                -30.671
 CID3   Fr= 1--      23.545                  3.529               -103.657
 RC180  Fr= 1--       0.714                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.03  -0.00  -0.01    -0.03   0.02  -0.06
     2   8    -0.00  -0.01  -0.00    -0.00   0.01   0.01     0.01  -0.01   0.01
     3   8    -0.01   0.01  -0.01    -0.00   0.00   0.00     0.04  -0.00   0.04
     4   6     0.03  -0.07   0.02    -0.06  -0.12  -0.04    -0.05  -0.04  -0.05
     5   6     0.03  -0.07  -0.02     0.06   0.12  -0.04    -0.05  -0.04   0.05
     6   6     0.02   0.01  -0.01    -0.03   0.00  -0.01    -0.03   0.02   0.06
     7   8    -0.00  -0.01   0.00     0.00  -0.01   0.01     0.01  -0.01  -0.01
     8   8     0.01  -0.01   0.00     0.02  -0.00   0.00     0.01   0.00   0.00
     9   8     0.01  -0.01  -0.00    -0.02   0.00   0.00     0.01   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.00  -0.00   0.00     0.04  -0.00  -0.04
    11   1    -0.33   0.51   0.12     0.00   0.55   0.29     0.45   0.18   0.28
    12   1    -0.33   0.51  -0.12    -0.00  -0.55   0.29     0.45   0.18  -0.28
    13   1    -0.03   0.02   0.02     0.06  -0.03  -0.06    -0.28   0.13   0.25
    14   1    -0.03   0.02  -0.02    -0.06   0.03  -0.06    -0.28   0.13  -0.25
    15   1    -0.14   0.29   0.08    -0.13   0.26   0.07    -0.04   0.08   0.02
    16   1    -0.14   0.29  -0.08     0.13  -0.26   0.07    -0.04   0.08  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1395.0249              1400.8768              1464.7035
 Red. masses --      1.9049                 2.2973                 1.2431
 Frc consts  --      2.1841                 2.6562                 1.5713
 IR Inten    --    575.6193               231.6057                63.2067
 RamAct Fr= 1--      0.2224                 1.4578                 4.0280
  Dep-P Fr= 1--      0.7500                 0.5256                 0.7499
  Dep-U Fr= 1--      0.8571                 0.6891                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0064                 0.0000
 Beta2  Fr= 1--      0.0318                 0.1674                 0.5754
 AlphaG Fr= 1--      0.0000                 0.0198                -0.0000
 Gamma2 Fr= 1--      0.3251                -1.5558                -2.6993
 Delta2 Fr= 1--      0.0731                -0.2620                -0.9408
 Raman1 Fr= 1--       0.890                  5.831                 16.112
 ROA1   Fr= 1--      33.552               -157.742               -289.242
 CID1   Fr= 1--      37.713                -27.051                -17.952
 Raman2 Fr= 1--       0.381                  2.009                  6.905
 ROA2   Fr= 1--       7.219                -35.244                -57.257
 CID2   Fr= 1--      18.932                -17.542                 -8.292
 Raman3 Fr= 1--       0.763                  4.018                 13.810
 ROA3   Fr= 1--      33.552               -157.742               -289.242
 CID3   Fr= 1--      43.998                -39.257                -20.945
 RC180  Fr= 1--       0.714                  0.378                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07    -0.13   0.04  -0.12     0.04   0.00   0.04
     2   8    -0.02   0.03  -0.00     0.02  -0.03   0.01    -0.01  -0.01  -0.01
     3   8    -0.06   0.01  -0.05     0.08  -0.01   0.08    -0.02   0.01  -0.02
     4   6    -0.05  -0.02  -0.09     0.07   0.00   0.03    -0.06  -0.01   0.01
     5   6    -0.05  -0.02   0.09    -0.07  -0.00   0.03    -0.06  -0.01  -0.01
     6   6     0.11  -0.02  -0.07     0.13  -0.04  -0.12     0.04   0.00  -0.03
     7   8    -0.02   0.03   0.00    -0.02   0.03   0.01    -0.01  -0.01   0.01
     8   8    -0.01   0.00   0.02    -0.02  -0.00   0.01     0.04  -0.00  -0.03
     9   8    -0.01   0.00  -0.02     0.02   0.00   0.00     0.04  -0.00   0.03
    10   8    -0.06   0.01   0.05    -0.08   0.01   0.08    -0.02   0.01   0.02
    11   1     0.33   0.28   0.22    -0.02   0.13   0.04     0.16  -0.30  -0.01
    12   1     0.33   0.28  -0.22     0.02  -0.13   0.04     0.17  -0.31   0.01
    13   1     0.30  -0.13  -0.27     0.45  -0.20  -0.40     0.08  -0.03  -0.06
    14   1     0.30  -0.13   0.27    -0.45   0.20  -0.40     0.08  -0.03   0.06
    15   1     0.11  -0.20  -0.01     0.05  -0.14  -0.03    -0.26   0.53   0.05
    16   1     0.11  -0.20   0.01    -0.05   0.14  -0.03    -0.27   0.54  -0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1467.7897              1796.1372              1806.3201
 Red. masses --      1.2471                 8.9196                 8.8299
 Frc consts  --      1.5830                16.9542                16.9744
 IR Inten    --      0.1891                29.7083               422.7918
 RamAct Fr= 1--      3.9684                24.5799                 2.3466
  Dep-P Fr= 1--      0.3813                 0.1055                 0.7500
  Dep-U Fr= 1--      0.5521                 0.1908                 0.8571
 Alpha2 Fr= 1--      0.0314                 0.4246                 0.0000
 Beta2  Fr= 1--      0.3651                 0.7818                 0.3352
 AlphaG Fr= 1--     -0.0236                -0.3521                -0.0000
 Gamma2 Fr= 1--     -0.9242                -4.6147                 2.8436
 Delta2 Fr= 1--      0.3974                -2.6768                 3.1782
 Raman1 Fr= 1--      15.873                 98.320                  9.387
 ROA1   Fr= 1--     -76.004               -528.663                374.691
 CID1   Fr= 1--      -4.788                 -5.377                 39.918
 Raman2 Fr= 1--       4.382                  9.382                  4.023
 ROA2   Fr= 1--     -25.360                -89.338                 42.821
 CID2   Fr= 1--      -5.788                 -9.522                 10.645
 Raman3 Fr= 1--       8.764                 18.764                  8.046
 ROA3   Fr= 1--     -76.004               -528.663                374.691
 CID3   Fr= 1--      -8.673                -28.175                 46.571
 RC180  Fr= 1--       0.104                 -0.618                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.09  -0.46  -0.14    -0.10   0.46   0.13
     2   8     0.01   0.01   0.01    -0.05   0.27   0.09     0.05  -0.27  -0.09
     3   8     0.02  -0.00   0.02     0.00   0.04   0.02     0.00  -0.05  -0.02
     4   6    -0.05   0.01   0.04     0.00   0.05   0.01    -0.00  -0.00  -0.03
     5   6     0.05  -0.01   0.04    -0.00  -0.05   0.01    -0.00  -0.00   0.03
     6   6     0.03   0.00  -0.03    -0.09   0.46  -0.14    -0.10   0.46  -0.13
     7   8    -0.01  -0.01   0.01     0.05  -0.27   0.09     0.05  -0.27   0.09
     8   8     0.04  -0.01  -0.03    -0.00   0.01   0.00    -0.00  -0.01   0.00
     9   8    -0.04   0.01  -0.03     0.00  -0.01   0.00    -0.00  -0.01  -0.00
    10   8    -0.02   0.00   0.02    -0.00  -0.04   0.02     0.00  -0.05   0.02
    11   1     0.08  -0.34  -0.05     0.06  -0.05  -0.02     0.07   0.04   0.02
    12   1    -0.08   0.34  -0.05    -0.06   0.05  -0.02     0.07   0.04  -0.02
    13   1     0.06  -0.03  -0.06     0.24  -0.09  -0.24     0.27  -0.10  -0.23
    14   1    -0.06   0.02  -0.06    -0.24   0.09  -0.24     0.27  -0.10   0.23
    15   1    -0.26   0.54   0.07     0.05  -0.21   0.01     0.03  -0.18  -0.02
    16   1     0.26  -0.53   0.06    -0.05   0.21   0.01     0.03  -0.18   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3048.6905              3056.0142              3493.6054
 Red. masses --      1.0833                 1.0845                 1.0667
 Frc consts  --      5.9325                 5.9677                 7.6709
 IR Inten    --     17.9182                 2.3303                95.0628
 RamAct Fr= 1--     48.9934               166.0135               115.6227
  Dep-P Fr= 1--      0.7500                 0.0980                 0.0423
  Dep-U Fr= 1--      0.8571                 0.1785                 0.0811
 Alpha2 Fr= 1--      0.0000                 2.9208                 2.3262
 Beta2  Fr= 1--      6.9990                 4.9394                 1.5633
 AlphaG Fr= 1--     -0.0000                -0.4746                 1.2622
 Gamma2 Fr= 1--      2.6163                -9.2457                47.0475
 Delta2 Fr= 1--      7.1148                -6.1063                11.7704
 Raman1 Fr= 1--     195.974                664.054                462.491
 ROA1   Fr= 1--     478.841              -1082.987               4893.216
 CID1   Fr= 1--       2.443                 -1.631                 10.580
 Raman2 Fr= 1--      83.988                 59.272                 18.759
 ROA2   Fr= 1--       5.874               -173.046               1034.977
 CID2   Fr= 1--       0.070                 -2.920                 55.172
 Raman3 Fr= 1--     167.977                118.545                 37.518
 ROA3   Fr= 1--     478.841              -1082.987               4893.216
 CID3   Fr= 1--       2.851                 -9.136                130.423
 RC180  Fr= 1--       0.714                 -0.643                 -0.838
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     2   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
     4   6     0.02   0.02  -0.05     0.02   0.02  -0.05    -0.00  -0.00   0.00
     5   6     0.02   0.02   0.05    -0.02  -0.02  -0.05     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03  -0.02   0.02
     9   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03   0.02   0.02
    10   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    11   1    -0.27  -0.27   0.59    -0.27  -0.27   0.59     0.01   0.01  -0.01
    12   1    -0.27  -0.27  -0.59     0.27   0.27   0.59    -0.01  -0.01  -0.01
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.13   0.05
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.13   0.05
    15   1     0.02   0.00  -0.01     0.01   0.00  -0.02     0.48   0.34  -0.37
    16   1     0.02   0.00   0.01    -0.01  -0.01  -0.02    -0.47  -0.33  -0.37
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3503.5680              3578.6925              3580.9456
 Red. masses --      1.0673                 1.0641                 1.0642
 Frc consts  --      7.7190                 8.0292                 8.0404
 IR Inten    --    494.0138               228.0157                86.2749
 RamAct Fr= 1--     14.1940                 8.9125                60.1589
  Dep-P Fr= 1--      0.7495                 0.7498                 0.0916
  Dep-U Fr= 1--      0.8568                 0.8570                 0.1678
 Alpha2 Fr= 1--      0.0001                 0.0000                 1.0752
 Beta2  Fr= 1--      2.0269                 1.2731                 1.6821
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0854
 Gamma2 Fr= 1--    -35.4972                 5.0990                -0.1369
 Delta2 Fr= 1--     -7.0760                 2.2893                -4.9655
 Raman1 Fr= 1--      56.776                 35.650                240.636
 ROA1   Fr= 1--   -3634.160                562.761               -172.034
 CID1   Fr= 1--     -64.009                 15.786                 -0.715
 Raman2 Fr= 1--      24.322                 15.277                 20.185
 ROA2   Fr= 1--    -795.324                104.062                 36.440
 CID2   Fr= 1--     -32.699                  6.812                  1.805
 Raman3 Fr= 1--      48.645                 30.553                 40.369
 ROA3   Fr= 1--   -3634.160                562.761               -172.034
 CID3   Fr= 1--     -74.708                 18.419                 -4.261
 RC180  Fr= 1--       0.714                  0.714                 -0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   8     0.00  -0.00  -0.00    -0.00  -0.04  -0.02     0.00   0.04   0.02
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.03  -0.02   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.00
     9   8    -0.03  -0.02  -0.02     0.00   0.00   0.00     0.01   0.00   0.00
    10   8     0.00  -0.00   0.00    -0.00  -0.04   0.02    -0.00  -0.04   0.02
    11   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00   0.05  -0.02    -0.01   0.64  -0.28    -0.01   0.64  -0.28
    14   1    -0.00   0.05   0.02    -0.01   0.65   0.28     0.01  -0.63  -0.28
    15   1     0.49   0.33  -0.37    -0.04  -0.03   0.03     0.10   0.07  -0.08
    16   1     0.49   0.34   0.38    -0.04  -0.02  -0.03    -0.10  -0.07  -0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   987.111891545.354791868.90457
           X            0.99932  -0.03687  -0.00000
           Y            0.03687   0.99932  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08774     0.05605     0.04634
 Rotational constants (GHZ):           1.82830     1.16785     0.96567
 Zero-point vibrational energy     307027.7 (Joules/Mol)
                                   73.38139 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     86.54   115.52   141.76   339.09   371.26
          (Kelvin)            450.55   455.83   552.10   627.36   753.84
                              777.42   847.05   886.32   970.28   985.00
                             1052.71  1160.68  1174.96  1187.52  1197.92
                             1368.99  1527.12  1581.69  1606.17  1769.40
                             1776.14  1818.19  1836.96  1916.28  1942.43
                             2007.13  2015.55  2107.38  2111.82  2584.24
                             2598.89  4386.39  4396.92  5026.52  5040.85
                             5148.94  5152.18
 
 Zero-point correction=                           0.116941 (Hartree/Particle)
 Thermal correction to Energy=                    0.126064
 Thermal correction to Enthalpy=                  0.127008
 Thermal correction to Gibbs Free Energy=         0.082088
 Sum of electronic and zero-point Energies=           -607.578178
 Sum of electronic and thermal Energies=              -607.569055
 Sum of electronic and thermal Enthalpies=            -607.568111
 Sum of electronic and thermal Free Energies=         -607.613031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   79.106             33.643             94.542
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.435
 Vibrational             77.329             27.681             24.180
 Vibration     1          0.597              1.973              4.452
 Vibration     2          0.600              1.963              3.884
 Vibration     3          0.604              1.950              3.483
 Vibration     4          0.655              1.786              1.835
 Vibration     5          0.667              1.749              1.675
 Vibration     6          0.701              1.649              1.346
 Vibration     7          0.704              1.641              1.326
 Vibration     8          0.753              1.505              1.024
 Vibration     9          0.796              1.392              0.839
 Vibration    10          0.879              1.197              0.601
 Vibration    11          0.895              1.161              0.565
 Vibration    12          0.946              1.056              0.469
 Vibration    13          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.174628D-37        -37.757887        -86.940748
 Total V=0       0.107411D+17         16.031048         36.912853
 Vib (Bot)       0.400050D-51        -51.397886       -118.348005
 Vib (Bot)    1  0.343317D+01          0.535695          1.233483
 Vib (Bot)    2  0.256496D+01          0.409081          0.941944
 Vib (Bot)    3  0.208355D+01          0.318804          0.734072
 Vib (Bot)    4  0.833602D+00         -0.079041         -0.181999
 Vib (Bot)    5  0.753453D+00         -0.122944         -0.283089
 Vib (Bot)    6  0.602732D+00         -0.219875         -0.506282
 Vib (Bot)    7  0.594463D+00         -0.225875         -0.520097
 Vib (Bot)    8  0.469953D+00         -0.327946         -0.755123
 Vib (Bot)    9  0.397704D+00         -0.400440         -0.922046
 Vib (Bot)   10  0.306955D+00         -0.512925         -1.181054
 Vib (Bot)   11  0.293124D+00         -0.532948         -1.227158
 Vib (Bot)   12  0.256568D+00         -0.590798         -1.360362
 Vib (Bot)   13  0.238389D+00         -0.622714         -1.433853
 Vib (V=0)       0.246065D+03          2.391050          5.505596
 Vib (V=0)    1  0.396938D+01          0.598723          1.378611
 Vib (V=0)    2  0.311324D+01          0.493213          1.135665
 Vib (V=0)    3  0.264270D+01          0.422048          0.971802
 Vib (V=0)    4  0.147206D+01          0.167924          0.386660
 Vib (V=0)    5  0.140426D+01          0.147448          0.339512
 Vib (V=0)    6  0.128313D+01          0.108269          0.249299
 Vib (V=0)    7  0.127678D+01          0.106116          0.244341
 Vib (V=0)    8  0.118619D+01          0.074154          0.170746
 Vib (V=0)    9  0.113888D+01          0.056478          0.130046
 Vib (V=0)   10  0.108670D+01          0.036111          0.083149
 Vib (V=0)   11  0.107959D+01          0.033258          0.076579
 Vib (V=0)   12  0.106198D+01          0.026118          0.060140
 Vib (V=0)   13  0.105392D+01          0.022808          0.052518
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.604417D+06          5.781336         13.312019
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33 33             33                                           11          1111111111   111                                     
     55 54             00                                           87          4443332222   100   9 8888  766 6555  4 333 22        
     87 09             54                                           09          6609537633   196   5 3210  387 1842  3 811 53   986  
     19 44             69                                           66          8515027440   691   1 3577  254 6904  6 473 86   900  
 
     XX XX             XX                                           XX          XXXXX X XX   XXX   X XXXX  XXX XXXX  X XXX XX   XXX  
     XX XX                                                          X            XXXX         X    X X      X              X         
     XX XX                                                          X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX                       X                        
      X X                                                           X             XXX                                                
      X X                                                           X             XXX                                                
        X                                                           X              XX                                                
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                                          X                                                 
        X                                                                          X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011927    0.000008036   -0.000000449
      2        8           0.000000843   -0.000010721    0.000004190
      3        8          -0.000000785   -0.000000837    0.000001173
      4        6          -0.000003677   -0.000003648   -0.000004793
      5        6          -0.000006845   -0.000016616    0.000005352
      6        6           0.000004306    0.000000083   -0.000001205
      7        8          -0.000005931    0.000008061   -0.000000754
      8        8           0.000003501    0.000000616    0.000003380
      9        8          -0.000004346    0.000000887    0.000006984
     10        8           0.000000503    0.000000039   -0.000002243
     11        1          -0.000001790   -0.000003411   -0.000002441
     12        1           0.000004758    0.000007190   -0.000004825
     13        1           0.000000702    0.000002931    0.000000283
     14        1          -0.000002836   -0.000002321   -0.000001089
     15        1          -0.000001578    0.000004136    0.000000919
     16        1           0.000001250    0.000005574   -0.000004482
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016616 RMS     0.000004954
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.753896D+02 -0.604414D+01 -0.249755D-03
      2  -0.604414D+01  0.790967D+02  0.195198D-03
      3  -0.249755D-03  0.195198D-03  0.638832D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.917113D+01  0.533168D+01  0.139918D-03
      2  -0.276679D+02 -0.999823D+01 -0.737755D-03
      3   0.293877D-03  0.321394D-04  0.125361D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.450038D-02  0.199877D-02 -0.429220D+02
      2   0.265224D-02 -0.778470D-03 -0.759299D+00
      3   0.184815D-02 -0.122030D-02  0.436813D+02
      4   0.195737D-03  0.141154D-02 -0.137869D+02
      5  -0.203748D+02 -0.383515D+01  0.386314D-03
      6  -0.902197D+00  0.185312D+01 -0.189075D-02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.197265D-02 -0.148582D+01  0.222814D+00  0.124026D+01 -0.975354D+00
      2  -0.148582D+01 -0.966387D+00 -0.108170D+01 -0.975354D+00  0.544598D+01
      3   0.222814D+00 -0.108170D+01 -0.106934D+01 -0.343273D-02  0.128381D+01
                 6             7             8             9            10 
      1  -0.343273D-02  0.164637D+01 -0.178948D+01 -0.125110D+00  0.160408D+01
      2   0.128381D+01 -0.178948D+01  0.141275D+01 -0.871942D+00 -0.236756D+01
      3   0.545577D+00 -0.125110D+00 -0.871942D+00 -0.251447D+00 -0.530530D+00
                11            12            13            14            15 
      1  -0.236756D+01 -0.530530D+00 -0.457487D+01  0.184607D+00 -0.121579D+01
      2  -0.209964D+00  0.507164D-01  0.184607D+00 -0.113653D+02 -0.209897D+01
      3   0.507164D-01  0.856366D+00 -0.121579D+01 -0.209897D+01 -0.313630D+01
                16            17            18            19            20 
      1  -0.123631D+01  0.324269D+00 -0.747239D-01 -0.588930D+01  0.157716D+01
      2   0.324269D+00 -0.274476D+01 -0.284020D+01  0.157716D+01 -0.809950D+00
      3  -0.747239D-01 -0.284020D+01 -0.252086D+01 -0.192575D+01  0.497788D+00
                21            22            23            24            25 
      1  -0.192575D+01 -0.692160D+00 -0.103421D+01 -0.422261D+00 -0.322323D+01
      2   0.497788D+00 -0.103421D+01 -0.193527D+01 -0.219199D+01  0.869878D+00
      3  -0.108528D+01 -0.422261D+00 -0.219199D+01 -0.585790D+00 -0.303921D+01
                26            27            28            29            30 
      1   0.869878D+00 -0.303921D+01 -0.457004D+01  0.174904D+01 -0.595115D-01
      2  -0.236661D+01  0.955754D+00  0.174904D+01  0.128596D+01  0.788020D-01
      3   0.955754D+00 -0.354611D+01 -0.595115D-01  0.788020D-01  0.237683D+01
                31            32            33            34            35 
      1   0.267716D+01  0.221583D+01 -0.725871D+00 -0.550293D+00  0.185169D+00
      2   0.221583D+01 -0.285327D+01 -0.883954D+00  0.185169D+00 -0.435958D+00
      3  -0.725871D+00 -0.883954D+00  0.353402D+01  0.238829D+01  0.217942D+01
                36            37            38            39            40 
      1   0.238829D+01  0.457066D+01 -0.174862D+01 -0.603445D-01 -0.267638D+01
      2   0.217942D+01 -0.174862D+01 -0.128600D+01  0.785953D-01 -0.221571D+01
      3  -0.249152D+01 -0.603445D-01  0.785953D-01 -0.237642D+01 -0.725896D+00
                41            42            43            44            45 
      1  -0.221571D+01 -0.725896D+00 -0.550925D+00  0.184826D+00 -0.238759D+01
      2   0.285386D+01 -0.884462D+00  0.184826D+00 -0.436518D+00 -0.217896D+01
      3  -0.884462D+00 -0.353350D+01 -0.238759D+01 -0.217896D+01 -0.249204D+01
                46            47            48            49            50 
      1   0.112510D-02  0.148557D+01  0.223174D+00 -0.124112D+01  0.974758D+00
      2   0.148557D+01  0.965651D+00 -0.108139D+01  0.974758D+00 -0.544667D+01
      3   0.223174D+00 -0.108139D+01  0.106864D+01 -0.308746D-02  0.128408D+01
                51            52            53            54            55 
      1  -0.308746D-02  0.164657D+01 -0.178906D+01  0.124540D+00 -0.160360D+01
      2   0.128408D+01 -0.178906D+01  0.141247D+01  0.871735D+00  0.236765D+01
      3  -0.545822D+00  0.124540D+00  0.871735D+00 -0.251303D+00 -0.530461D+00
                56            57            58            59            60 
      1   0.236765D+01 -0.530461D+00  0.457532D+01 -0.184131D+00 -0.121598D+01
      2   0.210522D+00  0.505970D-01 -0.184131D+00  0.113657D+02 -0.209895D+01
      3   0.505970D-01 -0.856107D+00 -0.121598D+01 -0.209895D+01  0.313647D+01
                61            62            63            64            65 
      1  -0.123604D+01  0.324214D+00  0.748849D-01 -0.430322D+01  0.145602D+01
      2   0.324214D+00 -0.274430D+01  0.284009D+01  0.145602D+01 -0.211155D+01
      3   0.748849D-01  0.284009D+01 -0.252051D+01  0.174856D+01 -0.232656D+00
                66            67            68            69            70 
      1   0.174856D+01 -0.725333D+00 -0.238795D+01  0.105839D+01  0.301942D+01
      2  -0.232656D+00 -0.238795D+01  0.615114D+01  0.199723D+01 -0.637488D-01
      3  -0.196897D+01  0.105839D+01  0.199723D+01 -0.116413D+00 -0.194565D+01
                71            72            73            74            75 
      1  -0.637488D-01 -0.194565D+01  0.430332D+01 -0.145588D+01  0.174854D+01
      2   0.205114D+01  0.156434D+01 -0.145588D+01  0.211244D+01 -0.232822D+00
      3   0.156434D+01  0.256043D+01  0.174854D+01 -0.232822D+00  0.196894D+01
                76            77            78            79            80 
      1   0.725481D+00  0.238836D+01  0.105828D+01  0.301857D+01 -0.636720D-01
      2   0.238836D+01 -0.615045D+01  0.199738D+01 -0.636720D-01  0.205129D+01
      3   0.105828D+01  0.199738D+01  0.116349D+00  0.194517D+01 -0.156441D+01
                81            82            83            84            85 
      1   0.194517D+01  0.588893D+01 -0.157717D+01 -0.192581D+01  0.691954D+00
      2  -0.156441D+01 -0.157717D+01  0.810004D+00  0.497729D+00  0.103408D+01
      3   0.256001D+01 -0.192581D+01  0.497729D+00  0.108542D+01 -0.422174D+00
                86            87            88            89            90 
      1   0.103408D+01 -0.422174D+00 -0.322307D+01  0.869856D+00  0.303918D+01
      2   0.193544D+01 -0.219199D+01  0.869856D+00 -0.236656D+01 -0.955823D+00
      3  -0.219199D+01  0.585734D+00  0.303918D+01 -0.955823D+00 -0.354641D+01
                91            92            93            94            95 
      1  -0.142057D+01 -0.874513D+00  0.198093D+01 -0.151473D+01 -0.107151D+01
      2  -0.874513D+00 -0.874653D+00  0.326375D+00 -0.107151D+01 -0.114869D+01
      3   0.198093D+01  0.326375D+00 -0.248246D+01  0.687505D+00  0.162205D+01
                96            97            98            99           100 
      1   0.687505D+00  0.236518D+01  0.534721D+00 -0.247314D+01  0.142034D+01
      2   0.162205D+01  0.534721D+00  0.168983D+01 -0.152541D+01  0.874497D+00
      3  -0.247245D+01 -0.247314D+01 -0.152541D+01  0.683089D+01  0.198095D+01
               101           102           103           104           105 
      1   0.874497D+00  0.198095D+01  0.151462D+01  0.107151D+01  0.687488D+00
      2   0.874658D+00  0.326392D+00  0.107151D+01  0.114870D+01  0.162203D+01
      3   0.326392D+00  0.248230D+01  0.687488D+00  0.162203D+01  0.247236D+01
               106           107           108           109           110 
      1   0.236521D+01  0.534755D+00  0.247294D+01  0.113769D+01 -0.953073D+00
      2   0.534755D+00  0.168998D+01  0.152541D+01 -0.953073D+00  0.772173D+00
      3   0.247294D+01  0.152541D+01  0.683081D+01  0.350463D+00  0.160380D+00
               111           112           113           114           115 
      1   0.350463D+00 -0.295693D+01  0.138851D+01  0.118131D+01  0.126085D+01
      2   0.160380D+00  0.138851D+01 -0.476411D+01  0.435838D+00 -0.125779D-01
      3   0.677986D-01  0.118131D+01  0.435838D+00 -0.194027D+01 -0.376459D+00
               116           117           118           119           120 
      1  -0.125779D-01 -0.376459D+00 -0.113762D+01  0.953071D+00  0.350581D+00
      2   0.111092D+01 -0.963082D+00  0.953071D+00 -0.772184D+00  0.160346D+00
      3  -0.963082D+00  0.488765D+00  0.350581D+00  0.160346D+00 -0.678146D-01
               121           122           123           124           125 
      1   0.295715D+01 -0.138843D+01  0.118129D+01  0.126109D+01 -0.125716D-01
      2  -0.138843D+01  0.476385D+01  0.435960D+00 -0.125716D-01  0.111099D+01
      3   0.118129D+01  0.435960D+00  0.194017D+01  0.376435D+00  0.963090D+00
               126           127           128           129           130 
      1   0.376435D+00  0.384938D+01  0.462023D+00 -0.178693D+01  0.192073D+01
      2   0.963090D+00  0.462023D+00  0.105782D+01  0.200414D+00  0.283739D+00
      3   0.488787D+00 -0.178693D+01  0.200414D+00  0.155468D+01 -0.559872D+00
               131           132           133           134           135 
      1   0.283739D+00 -0.559872D+00 -0.328221D+01 -0.482360D-01  0.122120D+01
      2   0.279089D+01 -0.164065D+00 -0.482360D-01 -0.717398D+00  0.488199D+00
      3  -0.164065D+00  0.126303D+01  0.122120D+01  0.488199D+00 -0.107009D+01
               136           137           138           139           140 
      1  -0.384920D+01 -0.462407D+00 -0.178667D+01 -0.192117D+01 -0.284092D+00
      2  -0.462407D+00 -0.105854D+01  0.200440D+00 -0.284092D+00 -0.279177D+01
      3  -0.178667D+01  0.200440D+00 -0.155459D+01 -0.559909D+00 -0.163981D+00
               141           142           143           144 
      1  -0.559909D+00 -0.328116D+01 -0.483345D-01 -0.122076D+01
      2  -0.163981D+00 -0.483345D-01 -0.717252D+00 -0.488219D+00
      3  -0.126317D+01 -0.122076D+01 -0.488219D+00 -0.106940D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.198962D+01 -0.346520D+01 -0.264363D+01 -0.409918D+01 -0.496876D+01
      2   0.108428D+02  0.601769D+01  0.661190D+01  0.689316D+01 -0.110322D+01
      3   0.282558D+01 -0.488991D+01 -0.308211D+01 -0.565018D+01  0.478118D+01
                 6             7             8             9            10 
      1   0.282143D+01  0.112779D+01  0.385473D+01  0.393606D+01  0.215505D+01
      2   0.235064D+01 -0.538353D+01  0.254841D+00 -0.992856D+01 -0.105484D+01
      3   0.324964D+01 -0.878366D+01  0.593085D+01 -0.298551D+01 -0.622700D+01
                11            12            13            14            15 
      1   0.662945D+00  0.849647D+00 -0.220960D+01  0.432629D+01 -0.102769D+02
      2  -0.216748D+01  0.198479D+00 -0.138833D+01  0.363857D+01  0.320021D+01
      3  -0.140177D+01  0.424863D+00  0.141533D+02 -0.171718D+02 -0.839216D+00
                16            17            18            19            20 
      1  -0.205263D+01  0.229694D+01 -0.451091D+01 -0.183812D+00  0.227785D+01
      2  -0.403625D+01  0.540455D+01  0.595397D+01 -0.153739D+01 -0.141160D+01
      3   0.517967D+01 -0.442988D+01 -0.399098D+01  0.123091D+01 -0.687682D+01
                21            22            23            24            25 
      1   0.208486D+01  0.212876D+01  0.525778D+01  0.142605D+01 -0.774523D+00
      2   0.495086D+01 -0.133435D+01  0.514705D+01  0.752909D+00  0.344587D+01
      3   0.386107D+00 -0.161108D+01 -0.816739D+01 -0.742164D+01 -0.134747D+00
                26            27            28            29            30 
      1   0.691530D+01  0.135555D+01  0.173194D+01  0.145511D+01 -0.332704D+00
      2   0.108659D+01  0.114070D+02  0.106977D+02 -0.514539D+00  0.127096D+01
      3  -0.976718D+01  0.113077D+01  0.103993D+01 -0.151258D+01 -0.241545D+00
                31            32            33            34            35 
      1   0.375156D+01 -0.386275D+01 -0.114572D+01  0.619275D+00  0.335785D+01
      2  -0.547451D+01 -0.181225D+01  0.114629D+01 -0.604314D+01 -0.419943D+00
      3   0.340071D+01 -0.182548D+01 -0.204694D+01 -0.268232D+00 -0.118453D+01
                36            37            38            39            40 
      1   0.248440D+01 -0.173121D+01 -0.145512D+01 -0.332832D+00 -0.375119D+01
      2   0.168719D+01 -0.106995D+02  0.513485D+00  0.127303D+01  0.547271D+01
      3   0.990341D+00  0.103893D+01 -0.151244D+01  0.241645D+00  0.340104D+01
                41            42            43            44            45 
      1   0.386429D+01 -0.114620D+01  0.618503D+00  0.335717D+01 -0.248349D+01
      2   0.181120D+01  0.114721D+01 -0.604110D+01 -0.418424D+00 -0.168961D+01
      3  -0.182667D+01  0.204741D+01  0.268822D+00  0.118500D+01  0.989364D+00
                46            47            48            49            50 
      1   0.198867D+01  0.346477D+01 -0.264189D+01  0.409855D+01  0.496730D+01
      2  -0.108416D+02 -0.601593D+01  0.661070D+01 -0.689014D+01  0.110432D+01
      3   0.282556D+01 -0.488908D+01  0.308137D+01 -0.565073D+01  0.478165D+01
                51            52            53            54            55 
      1   0.282196D+01  0.112736D+01  0.385492D+01 -0.393518D+01 -0.215483D+01
      2   0.234845D+01 -0.538389D+01  0.254195D+00  0.992934D+01  0.105565D+01
      3  -0.324982D+01  0.878155D+01 -0.593012D+01 -0.298457D+01 -0.622604D+01
                56            57            58            59            60 
      1  -0.663031D+00  0.848707D+00  0.220933D+01 -0.432614D+01 -0.102768D+02
      2   0.216716D+01  0.198693D+00  0.138705D+01 -0.363841D+01  0.320100D+01
      3  -0.140267D+01 -0.424670D+00  0.141531D+02 -0.171711D+02  0.839101D+00
                61            62            63            64            65 
      1  -0.205243D+01  0.229709D+01  0.451006D+01 -0.457737D+01 -0.295362D+01
      2  -0.403640D+01  0.540398D+01 -0.595295D+01  0.221922D+00 -0.218773D+01
      3  -0.517850D+01  0.442940D+01 -0.399077D+01 -0.131455D+02 -0.645983D+01
                66            67            68            69            70 
      1   0.567150D+01 -0.675639D+01  0.590838D+01 -0.176072D+01  0.550806D+01
      2   0.433458D+01 -0.611704D+00  0.799869D+00 -0.240135D+01 -0.234890D+01
      3   0.631670D+01 -0.254903D+00  0.400868D+01  0.634066D+01  0.101679D+02
                71            72            73            74            75 
      1   0.516003D+01 -0.424203D+01  0.457730D+01  0.295472D+01  0.567123D+01
      2  -0.140638D+01 -0.204458D+01 -0.222932D+00  0.218750D+01  0.433412D+01
      3   0.317870D+01 -0.339264D+01 -0.131459D+02 -0.646133D+01 -0.631595D+01
                76            77            78            79            80 
      1   0.675734D+01 -0.590779D+01 -0.175984D+01  0.550661D+01  0.516047D+01
      2   0.611911D+00 -0.800178D+00 -0.240141D+01 -0.234934D+01 -0.140640D+01
      3  -0.257390D+00  0.400768D+01 -0.634112D+01 -0.101658D+02 -0.317915D+01
                81            82            83            84            85 
      1   0.424057D+01  0.184075D+00 -0.227778D+01  0.208432D+01 -0.212824D+01
      2   0.204440D+01  0.153761D+01  0.141124D+01  0.495050D+01  0.133394D+01
      3  -0.339104D+01  0.123063D+01 -0.687672D+01 -0.386021D+00 -0.160964D+01
                86            87            88            89            90 
      1  -0.525802D+01  0.142645D+01 -0.774211D+00  0.691554D+01 -0.135587D+01
      2  -0.514715D+01  0.753298D+00  0.344509D+01  0.108642D+01 -0.114069D+02
      3  -0.816707D+01  0.742116D+01  0.134727D+00  0.976654D+01  0.113088D+01
                91            92            93            94            95 
      1  -0.955671D+00 -0.136770D+01 -0.537052D-02 -0.135558D+01 -0.133858D+01
      2   0.208184D+00  0.515011D+00 -0.152508D+00  0.187019D+01  0.643918D-01
      3  -0.377786D+00 -0.180961D+01  0.274141D+00  0.252590D+00 -0.121655D+01
                96            97            98            99           100 
      1   0.114730D+01  0.178391D+00  0.357856D+01 -0.124396D+01  0.955591D+00
      2   0.556147D+00 -0.299622D+01  0.265207D+00 -0.200293D+01 -0.207751D+00
      3   0.183748D+01 -0.268307D+00  0.223417D+01 -0.647709D+00 -0.377540D+00
               101           102           103           104           105 
      1   0.136765D+01 -0.550854D-02  0.135562D+01  0.133824D+01  0.114716D+01
      2  -0.515054D+00 -0.152651D+00 -0.187006D+01 -0.644378D-01  0.556054D+00
      3  -0.180947D+01 -0.274039D+00  0.252784D+00 -0.121622D+01 -0.183739D+01
               106           107           108           109           110 
      1   0.178404D+00  0.357851D+01  0.124339D+01  0.160893D+01  0.974925D+00
      2  -0.299624D+01  0.265000D+00  0.200338D+01 -0.119875D+00 -0.634693D+00
      3   0.268487D+00 -0.223433D+01 -0.647407D+00  0.278577D+01 -0.715235D+00
               111           112           113           114           115 
      1  -0.679014D+00  0.774684D+00  0.796321D+01 -0.420274D+01 -0.108574D+01
      2  -0.973623D-01  0.957771D+00  0.296441D+01 -0.507765D+01 -0.954950D+00
      3  -0.138500D+01  0.106809D+01  0.154854D+02 -0.435543D+01 -0.192031D+01
               116           117           118           119           120 
      1  -0.298155D+01  0.197074D+01 -0.160910D+01 -0.975202D+00 -0.678947D+00
      2  -0.346681D+01  0.327928D+01  0.119761D+00  0.634752D+00 -0.973847D-01
      3  -0.617353D+01  0.395622D+01  0.278605D+01 -0.714878D+00  0.138509D+01
               121           122           123           124           125 
      1  -0.775051D+00 -0.796252D+01 -0.420245D+01 -0.108564D+01 -0.298141D+01
      2  -0.957913D+00 -0.296443D+01 -0.507753D+01 -0.955026D+00 -0.346683D+01
      3   0.106886D+01  0.154855D+02  0.435598D+01  0.192081D+01  0.617426D+01
               126           127           128           129           130 
      1  -0.197041D+01  0.760798D+01  0.246102D+01 -0.494521D+01  0.352095D+01
      2  -0.327933D+01 -0.172802D+01  0.510544D+00 -0.114587D+01 -0.536149D+00
      3   0.395633D+01  0.133790D+02  0.389161D+01 -0.739737D+01  0.748771D+01
               131           132           133           134           135 
      1   0.218176D+01 -0.398071D+01 -0.503124D+01 -0.240792D+01  0.409452D+01
      2   0.844109D-01 -0.527129D+00 -0.529815D+00 -0.206891D+00  0.189530D+01
      3   0.259403D+01 -0.312123D+01 -0.109303D+02 -0.291109D+01  0.493898D+01
               136           137           138           139           140 
      1  -0.760791D+01 -0.246132D+01 -0.494516D+01 -0.352144D+01 -0.218278D+01
      2   0.172808D+01 -0.510256D+00 -0.114527D+01  0.536429D+00 -0.841442D-01
      3   0.133795D+02  0.389207D+01  0.739669D+01  0.748911D+01  0.259600D+01
               141           142           143           144 
      1  -0.398103D+01 -0.503004D+01 -0.240757D+01 -0.409334D+01
      2  -0.527139D+00 -0.529578D+00 -0.206926D+00 -0.189490D+01
      3   0.312120D+01  0.109279D+02  0.291089D+01  0.493774D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.627850D+01  0.501024D+00 -0.105789D+01  0.686762D+01  0.157426D+02
      2   0.362345D+01  0.650555D+00  0.414462D+01 -0.657033D+01 -0.243637D+02
      3   0.265505D+01 -0.115158D+01 -0.308673D+01 -0.297288D+00  0.862105D+01
      4   0.109035D+02  0.223245D+01  0.299977D+01 -0.104731D+02 -0.135367D+02
      5  -0.721532D+01  0.297987D+01  0.157599D+00 -0.202997D+01 -0.338639D+01
      6  -0.743854D+00 -0.296768D+01  0.863498D+01 -0.489237D+01 -0.818251D+01
                 6             7             8             9            10 
      1   0.487479D+01 -0.122075D+02  0.972283D+01  0.322200D+01  0.226526D+00
      2  -0.302296D+01  0.883709D+01 -0.982280D+01 -0.215111D+01  0.421180D+01
      3  -0.185183D+01  0.337040D+01  0.999735D-01 -0.107088D+01 -0.443833D+01
      4  -0.622989D+01 -0.563714D+00 -0.820208D+01  0.220768D+01  0.552860D+01
      5   0.509201D+01  0.377844D+00  0.503244D+01 -0.651730D+01  0.121458D+01
      6  -0.134556D+02  0.772292D+00 -0.131626D+01 -0.385667D+01  0.353400D+01
                11            12            13            14            15 
      1   0.858768D+01  0.295020D+01  0.907689D+01 -0.287329D+02 -0.417176D+01
      2  -0.368349D+01 -0.216523D+01 -0.259452D+01  0.486170D+02  0.366393D+01
      3  -0.490420D+01 -0.784968D+00 -0.648237D+01 -0.198841D+02  0.507838D+00
      4   0.136253D+02  0.227824D+01  0.169642D+02  0.331268D+02  0.651828D+01
      5   0.235594D+01  0.476469D+01  0.698331D+01  0.155276D+01  0.572650D+01
      6   0.316504D+00 -0.253639D+01  0.249379D+01  0.169841D+02  0.182115D+02
                16            17            18            19            20 
      1   0.433750D+01 -0.107138D+02 -0.111635D+02  0.429981D+02 -0.621583D+01
      2  -0.315999D+01  0.788495D+01  0.266124D+01 -0.258694D+02  0.326903D+01
      3  -0.117752D+01  0.282885D+01  0.850224D+01 -0.171287D+02  0.294680D+01
      4   0.347085D+01  0.809237D+01  0.844146D+01 -0.929012D+01  0.918261D+01
      5   0.593405D+01  0.594056D+01  0.633459D+01  0.164206D+02 -0.354446D+01
      6  -0.825710D-01  0.154963D+02  0.121852D+02 -0.372575D+01  0.340007D+01
                21            22            23            24            25 
      1   0.832434D+01 -0.403020D+00  0.190826D+01  0.268837D+01  0.147629D+02
      2  -0.721280D+01  0.459695D+00 -0.179729D+01 -0.205304D+01 -0.127755D+02
      3  -0.111154D+01 -0.566756D-01 -0.110968D+00 -0.635330D+00 -0.198740D+01
      4  -0.336432D+01  0.108911D+02  0.627286D+01  0.963336D+01 -0.561356D+01
      5   0.146312D+02  0.484248D+00  0.103215D+02 -0.410727D+00  0.184802D+02
      6  -0.506250D+01  0.322073D+01 -0.202555D+01  0.784849D+01 -0.355794D+01
                26            27            28            29            30 
      1  -0.131338D+01  0.514724D+01  0.376291D+00 -0.323168D+01 -0.461253D+01
      2   0.984330D+00 -0.155281D+02  0.202586D+01  0.431174D+01 -0.463981D+01
      3   0.329049D+00  0.103809D+02 -0.240216D+01 -0.108006D+01  0.925234D+01
      4   0.113301D+02 -0.394060D+01 -0.274693D+01 -0.172587D+01  0.220559D+01
      5  -0.557419D+01  0.203352D+02  0.184656D+01  0.140564D+01 -0.738087D+01
      6   0.716523D+01 -0.573382D+01  0.666326D+01  0.403372D+01 -0.163673D+01
                31            32            33            34            35 
      1   0.131308D+01  0.329534D+01 -0.348526D+01 -0.217287D+01 -0.383880D+01
      2   0.322535D+01 -0.557591D+01 -0.704320D+01 -0.373338D+01 -0.133693D+01
      3  -0.453843D+01  0.228057D+01  0.105285D+02  0.590625D+01  0.517573D+01
      4  -0.760247D+01  0.468300D+01  0.187840D+01  0.198102D+01  0.274513D+01
      5   0.220856D+01  0.562797D+01 -0.725180D+01 -0.533288D+01 -0.461220D+01
      6   0.231847D+01 -0.358128D+01 -0.898957D+01 -0.130016D+01  0.833256D-01
                36            37            38            39            40 
      1  -0.399264D+00  0.377833D+00 -0.323135D+01  0.461157D+01  0.131382D+01
      2   0.101944D+02  0.202545D+01  0.431210D+01  0.463974D+01  0.322433D+01
      3  -0.979515D+01 -0.240328D+01 -0.108075D+01 -0.925131D+01 -0.453815D+01
      4  -0.300052D+01 -0.274556D+01 -0.172581D+01 -0.220574D+01 -0.760217D+01
      5   0.147341D+02 -0.184737D+01 -0.140547D+01 -0.737973D+01 -0.220835D+01
      6   0.960694D+01 -0.666306D+01 -0.403437D+01 -0.163635D+01 -0.231927D+01
                41            42            43            44            45 
      1   0.329571D+01  0.348417D+01  0.217142D+01  0.383741D+01 -0.398194D+00
      2  -0.557546D+01  0.704280D+01  0.373316D+01  0.133778D+01  0.101933D+02
      3   0.227975D+01 -0.105270D+02 -0.590458D+01 -0.517520D+01 -0.979513D+01
      4   0.468506D+01 -0.187989D+01 -0.198158D+01 -0.274634D+01 -0.299951D+01
      5  -0.562965D+01 -0.725034D+01 -0.533014D+01 -0.461086D+01 -0.147355D+02
      6   0.358208D+01 -0.899071D+01 -0.129971D+01  0.834997D-01 -0.960726D+01
                46            47            48            49            50 
      1  -0.627931D+01  0.501838D+00  0.105825D+01  0.686656D+01  0.157411D+02
      2   0.362397D+01  0.648876D+00 -0.414504D+01 -0.657026D+01 -0.243634D+02
      3   0.265534D+01 -0.115071D+01  0.308679D+01 -0.296306D+00  0.862239D+01
      4   0.109025D+02  0.223049D+01 -0.299897D+01 -0.104754D+02 -0.135388D+02
      5   0.721663D+01 -0.297922D+01  0.156180D+00  0.203072D+01  0.338677D+01
      6   0.743940D+00  0.296875D+01  0.863338D+01  0.489219D+01  0.818273D+01
                51            52            53            54            55 
      1  -0.487363D+01  0.122071D+02 -0.972072D+01  0.322077D+01  0.228848D+00
      2   0.302333D+01 -0.883599D+01  0.982120D+01 -0.215086D+01  0.421091D+01
      3   0.185030D+01 -0.337108D+01 -0.100480D+00 -0.106991D+01 -0.443975D+01
      4   0.622999D+01  0.563783D+00  0.820155D+01  0.220727D+01  0.553001D+01
      5   0.509087D+01  0.376169D+00  0.503178D+01  0.651801D+01 -0.121518D+01
      6  -0.134551D+02  0.771812D+00 -0.131657D+01  0.385571D+01 -0.353379D+01
                56            57            58            59            60 
      1   0.858700D+01 -0.294952D+01  0.907641D+01 -0.287315D+02  0.417081D+01
      2  -0.368203D+01  0.216513D+01 -0.259328D+01  0.486172D+02 -0.366370D+01
      3  -0.490497D+01  0.784385D+00 -0.648314D+01 -0.198857D+02 -0.507106D+00
      4   0.136279D+02 -0.227821D+01  0.169660D+02  0.331287D+02 -0.651807D+01
      5  -0.235578D+01  0.476526D+01 -0.698389D+01 -0.155255D+01  0.572751D+01
      6  -0.317639D+00 -0.253518D+01 -0.249390D+01 -0.169841D+02  0.182108D+02
                61            62            63            64            65 
      1  -0.433656D+01  0.107124D+02 -0.111621D+02  0.756145D+01  0.152091D+01
      2   0.315950D+01 -0.788336D+01  0.266157D+01 -0.420399D+01 -0.548957D+01
      3   0.117706D+01 -0.282906D+01  0.850057D+01 -0.335747D+01  0.396866D+01
      4  -0.347045D+01 -0.809126D+01  0.844154D+01 -0.114218D+02  0.109253D+02
      5   0.593424D+01  0.594061D+01 -0.633388D+01 -0.287190D+01  0.228530D+01
      6  -0.818122D-01  0.154960D+02 -0.121841D+02  0.880879D+01 -0.488437D+01
                66            67            68            69            70 
      1   0.202825D+01 -0.100338D+01 -0.126615D+02 -0.379451D+01  0.606181D+00
      2   0.133608D+01 -0.452163D+01  0.216137D+02  0.567406D+01  0.122049D+01
      3  -0.336434D+01  0.552500D+01 -0.895217D+01 -0.187955D+01 -0.182667D+01
      4   0.446980D+01  0.102492D+02 -0.146825D+02 -0.253274D+01  0.727725D+01
      5   0.928609D+01  0.157758D+01 -0.871183D+01 -0.191804D+01  0.727997D+01
      6  -0.562683D+01 -0.173337D+01  0.134853D+02  0.123840D+02 -0.592273D+01
                71            72            73            74            75 
      1  -0.600053D+01 -0.568350D+01  0.756264D+01  0.152270D+01 -0.202779D+01
      2   0.446694D+01 -0.339085D+01 -0.420575D+01 -0.549272D+01 -0.133619D+01
      3   0.153358D+01  0.907435D+01 -0.335689D+01  0.397002D+01  0.336398D+01
      4  -0.495145D+01 -0.593303D+01 -0.114225D+02  0.109251D+02 -0.446993D+01
      5  -0.410984D+01 -0.497944D+01  0.287329D+01 -0.228577D+01  0.928656D+01
      6   0.916558D+01  0.102237D+02 -0.880835D+01  0.488516D+01 -0.562683D+01
                76            77            78            79            80 
      1  -0.100236D+01 -0.126589D+02  0.379473D+01 -0.605407D+00  0.600125D+01
      2  -0.452271D+01  0.216094D+02 -0.567418D+01 -0.122106D+01 -0.446798D+01
      3   0.552506D+01 -0.895053D+01  0.187945D+01  0.182647D+01 -0.153327D+01
      4   0.102488D+02 -0.146839D+02  0.253343D+01 -0.727620D+01  0.495082D+01
      5  -0.157771D+01  0.871315D+01 -0.191878D+01  0.728013D+01 -0.411024D+01
      6   0.173403D+01 -0.134854D+02  0.123843D+02 -0.592135D+01  0.916503D+01
                81            82            83            84            85 
      1  -0.568293D+01  0.429946D+02 -0.621612D+01 -0.832448D+01 -0.403665D+00
      2  -0.339139D+01 -0.258680D+02  0.326953D+01  0.721299D+01  0.460136D+00
      3   0.907432D+01 -0.171266D+02  0.294659D+01  0.111149D+01 -0.564709D-01
      4  -0.593263D+01 -0.929032D+01  0.918236D+01  0.336400D+01  0.108905D+02
      5   0.497946D+01 -0.164210D+02  0.354429D+01  0.146312D+02 -0.484082D+00
      6  -0.102227D+02  0.372536D+01 -0.340016D+01 -0.506211D+01 -0.322000D+01
                86            87            88            89            90 
      1   0.190783D+01 -0.268846D+01 -0.147617D+02  0.131305D+01  0.514631D+01
      2  -0.179772D+01  0.205289D+01  0.127747D+02 -0.984329D+00 -0.155282D+02
      3  -0.110111D+00  0.635574D+00  0.198701D+01 -0.328719D+00  0.103819D+02
      4   0.627319D+01 -0.963277D+01  0.561365D+01 -0.113298D+02 -0.394086D+01
      5  -0.103208D+02 -0.410986D+00  0.184799D+02 -0.557433D+01 -0.203358D+02
      6   0.202540D+01  0.784795D+01 -0.355792D+01  0.716568D+01  0.573428D+01
                91            92            93            94            95 
      1   0.299062D+01  0.143882D+01 -0.412181D+00  0.438389D+00 -0.245056D+01
      2  -0.735237D+01 -0.203646D+01  0.746239D+01 -0.177981D+01 -0.175403D+01
      3   0.436175D+01  0.597644D+00 -0.705021D+01  0.134142D+01  0.420458D+01
      4   0.300693D+01  0.345648D+01 -0.205780D+01  0.444390D+01  0.361179D+01
      5  -0.991995D+01 -0.272308D+01  0.136545D+02 -0.387990D+01 -0.566451D+01
      6  -0.357110D+01 -0.258151D+01  0.302602D+01 -0.332891D+01 -0.573836D+01
                96            97            98            99           100 
      1   0.414020D+01  0.174753D+00  0.263481D+01 -0.104547D+02  0.299038D+01
      2   0.397900D+01  0.709952D+01  0.314623D+01 -0.176826D+02 -0.735202D+01
      3  -0.811920D+01 -0.727427D+01 -0.578104D+01  0.281374D+02  0.436164D+01
      4  -0.417621D+01 -0.219173D+01 -0.381942D+01  0.364281D+01  0.300690D+01
      5   0.794484D+01  0.122388D+02  0.465903D+01 -0.219416D+02  0.991970D+01
      6   0.969346D+01  0.293516D+01  0.645864D+01 -0.962692D+01  0.357148D+01
               101           102           103           104           105 
      1   0.143878D+01  0.412410D+00  0.438290D+00 -0.245056D+01 -0.413996D+01
      2  -0.203645D+01 -0.746187D+01 -0.177950D+01 -0.175384D+01 -0.397859D+01
      3   0.597668D+00  0.704946D+01  0.134121D+01  0.420441D+01  0.811855D+01
      4   0.345658D+01  0.205797D+01  0.444389D+01  0.361192D+01  0.417630D+01
      5   0.272317D+01  0.136539D+02  0.387970D+01  0.566457D+01  0.794465D+01
      6   0.258157D+01  0.302607D+01  0.332893D+01  0.573854D+01  0.969343D+01
               106           107           108           109           110 
      1  -0.174347D+00 -0.263482D+01 -0.104545D+02  0.484906D+01 -0.430340D+01
      2  -0.709916D+01 -0.314631D+01 -0.176816D+02 -0.103223D+01  0.668693D+00
      3   0.727351D+01  0.578113D+01  0.281361D+02 -0.381683D+01  0.363470D+01
      4   0.219189D+01  0.381978D+01  0.364301D+01 -0.550746D+01  0.466755D+01
      5   0.122382D+02  0.465923D+01  0.219415D+02  0.172254D+01  0.698272D+00
      6   0.293532D+01  0.645882D+01  0.962774D+01 -0.290716D-01 -0.217817D+00
               111           112           113           114           115 
      1   0.868056D+00 -0.120370D+02  0.315958D+01  0.306202D+01  0.692633D+01
      2  -0.109508D+01  0.503061D+01  0.407975D+01 -0.391068D+01 -0.355839D+01
      3   0.227023D+00  0.700641D+01 -0.723933D+01  0.848663D+00 -0.336794D+01
      4  -0.333467D+00  0.885666D+01 -0.214891D+02  0.795138D+00 -0.928571D+00
      5   0.240001D+00  0.556275D+01  0.199263D+01 -0.767832D+01 -0.932597D+00
      6  -0.433039D-01 -0.276404D+01  0.505010D+01  0.215867D+01  0.438799D+00
               116           117           118           119           120 
      1  -0.125858D+01 -0.172573D+01  0.484868D+01 -0.430333D+01 -0.868468D+00
      2  -0.275749D+00  0.233143D+01 -0.103194D+01  0.668512D+00  0.109535D+01
      3   0.153433D+01 -0.605705D+00 -0.381674D+01  0.363482D+01 -0.226887D+00
      4   0.496624D+01 -0.320072D+01 -0.550742D+01  0.466750D+01  0.333659D+00
      5  -0.387696D+01  0.322790D+01 -0.172308D+01 -0.698043D+00  0.239959D+00
      6   0.862765D+00  0.357012D+00  0.292507D-01  0.217622D+00 -0.434334D-01
               121           122           123           124           125 
      1  -0.120382D+02  0.315985D+01 -0.306199D+01 -0.692737D+01  0.125863D+01
      2   0.503130D+01  0.407912D+01  0.391066D+01  0.355905D+01  0.275615D+00
      3   0.700689D+01 -0.723897D+01 -0.848669D+00  0.336832D+01 -0.153424D+01
      4   0.885664D+01 -0.214886D+02 -0.795812D+00  0.928886D+00 -0.496675D+01
      5  -0.556250D+01 -0.199334D+01 -0.767827D+01 -0.932341D+00 -0.387720D+01
      6   0.276362D+01 -0.504941D+01  0.215815D+01  0.438615D+00  0.862664D+00
               126           127           128           129           130 
      1  -0.172554D+01 -0.246360D+01 -0.232696D+01 -0.305319D+01 -0.223632D+01
      2   0.233123D+01  0.346663D+01  0.432406D+01 -0.948931D+00  0.271990D+01
      3  -0.605689D+00 -0.100302D+01 -0.199710D+01  0.400212D+01 -0.483574D+00
      4  -0.320095D+01  0.650480D+01 -0.281678D+01 -0.231272D+01  0.436546D+01
      5  -0.322825D+01  0.188323D+01  0.133848D+01 -0.341200D+01  0.167252D+01
      6  -0.357094D+00 -0.467587D+01  0.435058D+01  0.324455D+01 -0.131002D+01
               131           132           133           134           135 
      1  -0.662661D+01 -0.438388D+00  0.158444D+01  0.159444D+01 -0.237225D+00
      2   0.119118D+02 -0.187937D+01 -0.159322D+01 -0.363860D+01  0.227149D+01
      3  -0.528518D+01  0.231776D+01  0.878354D-02  0.204416D+01 -0.203427D+01
      4  -0.100917D+01 -0.676176D+00 -0.543778D+01  0.382399D+01  0.178281D+01
      5   0.730569D+00 -0.150447D+01 -0.351109D+00 -0.480958D+00  0.254265D+01
      6   0.190171D+01  0.409156D+01  0.369460D+01  0.163262D+01 -0.255737D+01
               136           137           138           139           140 
      1  -0.246406D+01 -0.232893D+01  0.305264D+01 -0.223770D+01 -0.662889D+01
      2   0.346785D+01  0.432704D+01  0.948812D+00  0.272185D+01  0.119157D+02
      3  -0.100379D+01 -0.199810D+01 -0.400145D+01 -0.484154D+00 -0.528685D+01
      4   0.650482D+01 -0.281442D+01  0.231234D+01  0.436643D+01 -0.100880D+01
      5  -0.188350D+01 -0.133895D+01 -0.341125D+01 -0.167297D+01 -0.730775D+00
      6   0.467476D+01 -0.435044D+01  0.324465D+01  0.130986D+01 -0.190310D+01
               141           142           143           144 
      1   0.438743D+00 -0.158468D+01 -0.159434D+01 -0.237933D+00
      2   0.187931D+01  0.159335D+01  0.363888D+01  0.227130D+01
      3  -0.231806D+01 -0.867436D-02 -0.204454D+01 -0.203337D+01
      4   0.676422D+00  0.543627D+01 -0.382285D+01  0.178227D+01
      5  -0.150465D+01 -0.350731D+00 -0.481019D+00 -0.254189D+01
      6   0.409182D+01  0.369345D+01  0.163337D+01  0.255562D+01
 Leave Link  716 at Thu Jul 22 21:10:41 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.753896D+02 -0.604414D+01 -0.249755D-03
      2  -0.604414D+01  0.790967D+02  0.195198D-03
      3  -0.249755D-03  0.195198D-03  0.638832D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.917113D+01  0.533168D+01  0.139918D-03
      2  -0.276679D+02 -0.999823D+01 -0.737755D-03
      3   0.293877D-03  0.321394D-04  0.125361D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.450038D-02  0.199877D-02 -0.429220D+02
      2   0.265224D-02 -0.778470D-03 -0.759299D+00
      3   0.184815D-02 -0.122030D-02  0.436813D+02
      4   0.195737D-03  0.141154D-02 -0.137869D+02
      5  -0.203748D+02 -0.383515D+01  0.386314D-03
      6  -0.902197D+00  0.185312D+01 -0.189075D-02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.197265D-02 -0.148582D+01  0.222814D+00  0.124026D+01 -0.975354D+00
      2  -0.148582D+01 -0.966387D+00 -0.108170D+01 -0.975354D+00  0.544598D+01
      3   0.222814D+00 -0.108170D+01 -0.106934D+01 -0.343273D-02  0.128381D+01
                 6             7             8             9            10 
      1  -0.343273D-02  0.164637D+01 -0.178948D+01 -0.125110D+00  0.160408D+01
      2   0.128381D+01 -0.178948D+01  0.141275D+01 -0.871942D+00 -0.236756D+01
      3   0.545577D+00 -0.125110D+00 -0.871942D+00 -0.251447D+00 -0.530530D+00
                11            12            13            14            15 
      1  -0.236756D+01 -0.530530D+00 -0.457487D+01  0.184607D+00 -0.121579D+01
      2  -0.209964D+00  0.507164D-01  0.184607D+00 -0.113653D+02 -0.209897D+01
      3   0.507164D-01  0.856366D+00 -0.121579D+01 -0.209897D+01 -0.313630D+01
                16            17            18            19            20 
      1  -0.123631D+01  0.324269D+00 -0.747239D-01 -0.588930D+01  0.157716D+01
      2   0.324269D+00 -0.274476D+01 -0.284020D+01  0.157716D+01 -0.809950D+00
      3  -0.747239D-01 -0.284020D+01 -0.252086D+01 -0.192575D+01  0.497788D+00
                21            22            23            24            25 
      1  -0.192575D+01 -0.692160D+00 -0.103421D+01 -0.422261D+00 -0.322323D+01
      2   0.497788D+00 -0.103421D+01 -0.193527D+01 -0.219199D+01  0.869878D+00
      3  -0.108528D+01 -0.422261D+00 -0.219199D+01 -0.585790D+00 -0.303921D+01
                26            27            28            29            30 
      1   0.869878D+00 -0.303921D+01 -0.457004D+01  0.174904D+01 -0.595115D-01
      2  -0.236661D+01  0.955754D+00  0.174904D+01  0.128596D+01  0.788020D-01
      3   0.955754D+00 -0.354611D+01 -0.595115D-01  0.788020D-01  0.237683D+01
                31            32            33            34            35 
      1   0.267716D+01  0.221583D+01 -0.725871D+00 -0.550293D+00  0.185169D+00
      2   0.221583D+01 -0.285327D+01 -0.883954D+00  0.185169D+00 -0.435958D+00
      3  -0.725871D+00 -0.883954D+00  0.353402D+01  0.238829D+01  0.217942D+01
                36            37            38            39            40 
      1   0.238829D+01  0.457066D+01 -0.174862D+01 -0.603445D-01 -0.267638D+01
      2   0.217942D+01 -0.174862D+01 -0.128600D+01  0.785953D-01 -0.221571D+01
      3  -0.249152D+01 -0.603445D-01  0.785953D-01 -0.237642D+01 -0.725896D+00
                41            42            43            44            45 
      1  -0.221571D+01 -0.725896D+00 -0.550925D+00  0.184826D+00 -0.238759D+01
      2   0.285386D+01 -0.884462D+00  0.184826D+00 -0.436518D+00 -0.217896D+01
      3  -0.884462D+00 -0.353350D+01 -0.238759D+01 -0.217896D+01 -0.249204D+01
                46            47            48            49            50 
      1   0.112510D-02  0.148557D+01  0.223174D+00 -0.124112D+01  0.974758D+00
      2   0.148557D+01  0.965651D+00 -0.108139D+01  0.974758D+00 -0.544667D+01
      3   0.223174D+00 -0.108139D+01  0.106864D+01 -0.308746D-02  0.128408D+01
                51            52            53            54            55 
      1  -0.308746D-02  0.164657D+01 -0.178906D+01  0.124540D+00 -0.160360D+01
      2   0.128408D+01 -0.178906D+01  0.141247D+01  0.871735D+00  0.236765D+01
      3  -0.545822D+00  0.124540D+00  0.871735D+00 -0.251303D+00 -0.530461D+00
                56            57            58            59            60 
      1   0.236765D+01 -0.530461D+00  0.457532D+01 -0.184131D+00 -0.121598D+01
      2   0.210522D+00  0.505970D-01 -0.184131D+00  0.113657D+02 -0.209895D+01
      3   0.505970D-01 -0.856107D+00 -0.121598D+01 -0.209895D+01  0.313647D+01
                61            62            63            64            65 
      1  -0.123604D+01  0.324214D+00  0.748849D-01 -0.430322D+01  0.145602D+01
      2   0.324214D+00 -0.274430D+01  0.284009D+01  0.145602D+01 -0.211155D+01
      3   0.748849D-01  0.284009D+01 -0.252051D+01  0.174856D+01 -0.232656D+00
                66            67            68            69            70 
      1   0.174856D+01 -0.725333D+00 -0.238795D+01  0.105839D+01  0.301942D+01
      2  -0.232656D+00 -0.238795D+01  0.615114D+01  0.199723D+01 -0.637488D-01
      3  -0.196897D+01  0.105839D+01  0.199723D+01 -0.116413D+00 -0.194565D+01
                71            72            73            74            75 
      1  -0.637488D-01 -0.194565D+01  0.430332D+01 -0.145588D+01  0.174854D+01
      2   0.205114D+01  0.156434D+01 -0.145588D+01  0.211244D+01 -0.232822D+00
      3   0.156434D+01  0.256043D+01  0.174854D+01 -0.232822D+00  0.196894D+01
                76            77            78            79            80 
      1   0.725481D+00  0.238836D+01  0.105828D+01  0.301857D+01 -0.636720D-01
      2   0.238836D+01 -0.615045D+01  0.199738D+01 -0.636720D-01  0.205129D+01
      3   0.105828D+01  0.199738D+01  0.116349D+00  0.194517D+01 -0.156441D+01
                81            82            83            84            85 
      1   0.194517D+01  0.588893D+01 -0.157717D+01 -0.192581D+01  0.691954D+00
      2  -0.156441D+01 -0.157717D+01  0.810004D+00  0.497729D+00  0.103408D+01
      3   0.256001D+01 -0.192581D+01  0.497729D+00  0.108542D+01 -0.422174D+00
                86            87            88            89            90 
      1   0.103408D+01 -0.422174D+00 -0.322307D+01  0.869856D+00  0.303918D+01
      2   0.193544D+01 -0.219199D+01  0.869856D+00 -0.236656D+01 -0.955823D+00
      3  -0.219199D+01  0.585734D+00  0.303918D+01 -0.955823D+00 -0.354641D+01
                91            92            93            94            95 
      1  -0.142057D+01 -0.874513D+00  0.198093D+01 -0.151473D+01 -0.107151D+01
      2  -0.874513D+00 -0.874653D+00  0.326375D+00 -0.107151D+01 -0.114869D+01
      3   0.198093D+01  0.326375D+00 -0.248246D+01  0.687505D+00  0.162205D+01
                96            97            98            99           100 
      1   0.687505D+00  0.236518D+01  0.534721D+00 -0.247314D+01  0.142034D+01
      2   0.162205D+01  0.534721D+00  0.168983D+01 -0.152541D+01  0.874497D+00
      3  -0.247245D+01 -0.247314D+01 -0.152541D+01  0.683089D+01  0.198095D+01
               101           102           103           104           105 
      1   0.874497D+00  0.198095D+01  0.151462D+01  0.107151D+01  0.687488D+00
      2   0.874658D+00  0.326392D+00  0.107151D+01  0.114870D+01  0.162203D+01
      3   0.326392D+00  0.248230D+01  0.687488D+00  0.162203D+01  0.247236D+01
               106           107           108           109           110 
      1   0.236521D+01  0.534755D+00  0.247294D+01  0.113769D+01 -0.953073D+00
      2   0.534755D+00  0.168998D+01  0.152541D+01 -0.953073D+00  0.772173D+00
      3   0.247294D+01  0.152541D+01  0.683081D+01  0.350463D+00  0.160380D+00
               111           112           113           114           115 
      1   0.350463D+00 -0.295693D+01  0.138851D+01  0.118131D+01  0.126085D+01
      2   0.160380D+00  0.138851D+01 -0.476411D+01  0.435838D+00 -0.125779D-01
      3   0.677986D-01  0.118131D+01  0.435838D+00 -0.194027D+01 -0.376459D+00
               116           117           118           119           120 
      1  -0.125779D-01 -0.376459D+00 -0.113762D+01  0.953071D+00  0.350581D+00
      2   0.111092D+01 -0.963082D+00  0.953071D+00 -0.772184D+00  0.160346D+00
      3  -0.963082D+00  0.488765D+00  0.350581D+00  0.160346D+00 -0.678146D-01
               121           122           123           124           125 
      1   0.295715D+01 -0.138843D+01  0.118129D+01  0.126109D+01 -0.125716D-01
      2  -0.138843D+01  0.476385D+01  0.435960D+00 -0.125716D-01  0.111099D+01
      3   0.118129D+01  0.435960D+00  0.194017D+01  0.376435D+00  0.963090D+00
               126           127           128           129           130 
      1   0.376435D+00  0.384938D+01  0.462023D+00 -0.178693D+01  0.192073D+01
      2   0.963090D+00  0.462023D+00  0.105782D+01  0.200414D+00  0.283739D+00
      3   0.488787D+00 -0.178693D+01  0.200414D+00  0.155468D+01 -0.559872D+00
               131           132           133           134           135 
      1   0.283739D+00 -0.559872D+00 -0.328221D+01 -0.482360D-01  0.122120D+01
      2   0.279089D+01 -0.164065D+00 -0.482360D-01 -0.717398D+00  0.488199D+00
      3  -0.164065D+00  0.126303D+01  0.122120D+01  0.488199D+00 -0.107009D+01
               136           137           138           139           140 
      1  -0.384920D+01 -0.462407D+00 -0.178667D+01 -0.192117D+01 -0.284092D+00
      2  -0.462407D+00 -0.105854D+01  0.200440D+00 -0.284092D+00 -0.279177D+01
      3  -0.178667D+01  0.200440D+00 -0.155459D+01 -0.559909D+00 -0.163981D+00
               141           142           143           144 
      1  -0.559909D+00 -0.328116D+01 -0.483345D-01 -0.122076D+01
      2  -0.163981D+00 -0.483345D-01 -0.717252D+00 -0.488219D+00
      3  -0.126317D+01 -0.122076D+01 -0.488219D+00 -0.106940D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.198962D+01 -0.346520D+01 -0.264363D+01 -0.409918D+01 -0.496876D+01
      2   0.108428D+02  0.601769D+01  0.661190D+01  0.689316D+01 -0.110322D+01
      3   0.282558D+01 -0.488991D+01 -0.308211D+01 -0.565018D+01  0.478118D+01
                 6             7             8             9            10 
      1   0.282143D+01  0.112779D+01  0.385473D+01  0.393606D+01  0.215505D+01
      2   0.235064D+01 -0.538353D+01  0.254841D+00 -0.992856D+01 -0.105484D+01
      3   0.324964D+01 -0.878366D+01  0.593085D+01 -0.298551D+01 -0.622700D+01
                11            12            13            14            15 
      1   0.662945D+00  0.849647D+00 -0.220960D+01  0.432629D+01 -0.102769D+02
      2  -0.216748D+01  0.198479D+00 -0.138833D+01  0.363857D+01  0.320021D+01
      3  -0.140177D+01  0.424863D+00  0.141533D+02 -0.171718D+02 -0.839216D+00
                16            17            18            19            20 
      1  -0.205263D+01  0.229694D+01 -0.451091D+01 -0.183812D+00  0.227785D+01
      2  -0.403625D+01  0.540455D+01  0.595397D+01 -0.153739D+01 -0.141160D+01
      3   0.517967D+01 -0.442988D+01 -0.399098D+01  0.123091D+01 -0.687682D+01
                21            22            23            24            25 
      1   0.208486D+01  0.212876D+01  0.525778D+01  0.142605D+01 -0.774523D+00
      2   0.495086D+01 -0.133435D+01  0.514705D+01  0.752909D+00  0.344587D+01
      3   0.386107D+00 -0.161108D+01 -0.816739D+01 -0.742164D+01 -0.134747D+00
                26            27            28            29            30 
      1   0.691530D+01  0.135555D+01  0.173194D+01  0.145511D+01 -0.332704D+00
      2   0.108659D+01  0.114070D+02  0.106977D+02 -0.514539D+00  0.127096D+01
      3  -0.976718D+01  0.113077D+01  0.103993D+01 -0.151258D+01 -0.241545D+00
                31            32            33            34            35 
      1   0.375156D+01 -0.386275D+01 -0.114572D+01  0.619275D+00  0.335785D+01
      2  -0.547451D+01 -0.181225D+01  0.114629D+01 -0.604314D+01 -0.419943D+00
      3   0.340071D+01 -0.182548D+01 -0.204694D+01 -0.268232D+00 -0.118453D+01
                36            37            38            39            40 
      1   0.248440D+01 -0.173121D+01 -0.145512D+01 -0.332832D+00 -0.375119D+01
      2   0.168719D+01 -0.106995D+02  0.513485D+00  0.127303D+01  0.547271D+01
      3   0.990341D+00  0.103893D+01 -0.151244D+01  0.241645D+00  0.340104D+01
                41            42            43            44            45 
      1   0.386429D+01 -0.114620D+01  0.618503D+00  0.335717D+01 -0.248349D+01
      2   0.181120D+01  0.114721D+01 -0.604110D+01 -0.418424D+00 -0.168961D+01
      3  -0.182667D+01  0.204741D+01  0.268822D+00  0.118500D+01  0.989364D+00
                46            47            48            49            50 
      1   0.198867D+01  0.346477D+01 -0.264189D+01  0.409855D+01  0.496730D+01
      2  -0.108416D+02 -0.601593D+01  0.661070D+01 -0.689014D+01  0.110432D+01
      3   0.282556D+01 -0.488908D+01  0.308137D+01 -0.565073D+01  0.478165D+01
                51            52            53            54            55 
      1   0.282196D+01  0.112736D+01  0.385492D+01 -0.393518D+01 -0.215483D+01
      2   0.234845D+01 -0.538389D+01  0.254195D+00  0.992934D+01  0.105565D+01
      3  -0.324982D+01  0.878155D+01 -0.593012D+01 -0.298457D+01 -0.622604D+01
                56            57            58            59            60 
      1  -0.663031D+00  0.848707D+00  0.220933D+01 -0.432614D+01 -0.102768D+02
      2   0.216716D+01  0.198693D+00  0.138705D+01 -0.363841D+01  0.320100D+01
      3  -0.140267D+01 -0.424670D+00  0.141531D+02 -0.171711D+02  0.839101D+00
                61            62            63            64            65 
      1  -0.205243D+01  0.229709D+01  0.451006D+01 -0.457737D+01 -0.295362D+01
      2  -0.403640D+01  0.540398D+01 -0.595295D+01  0.221922D+00 -0.218773D+01
      3  -0.517850D+01  0.442940D+01 -0.399077D+01 -0.131455D+02 -0.645983D+01
                66            67            68            69            70 
      1   0.567150D+01 -0.675639D+01  0.590838D+01 -0.176072D+01  0.550806D+01
      2   0.433458D+01 -0.611704D+00  0.799869D+00 -0.240135D+01 -0.234890D+01
      3   0.631670D+01 -0.254903D+00  0.400868D+01  0.634066D+01  0.101679D+02
                71            72            73            74            75 
      1   0.516003D+01 -0.424203D+01  0.457730D+01  0.295472D+01  0.567123D+01
      2  -0.140638D+01 -0.204458D+01 -0.222932D+00  0.218750D+01  0.433412D+01
      3   0.317870D+01 -0.339264D+01 -0.131459D+02 -0.646133D+01 -0.631595D+01
                76            77            78            79            80 
      1   0.675734D+01 -0.590779D+01 -0.175984D+01  0.550661D+01  0.516047D+01
      2   0.611911D+00 -0.800178D+00 -0.240141D+01 -0.234934D+01 -0.140640D+01
      3  -0.257390D+00  0.400768D+01 -0.634112D+01 -0.101658D+02 -0.317915D+01
                81            82            83            84            85 
      1   0.424057D+01  0.184075D+00 -0.227778D+01  0.208432D+01 -0.212824D+01
      2   0.204440D+01  0.153761D+01  0.141124D+01  0.495050D+01  0.133394D+01
      3  -0.339104D+01  0.123063D+01 -0.687672D+01 -0.386021D+00 -0.160964D+01
                86            87            88            89            90 
      1  -0.525802D+01  0.142645D+01 -0.774211D+00  0.691554D+01 -0.135587D+01
      2  -0.514715D+01  0.753298D+00  0.344509D+01  0.108642D+01 -0.114069D+02
      3  -0.816707D+01  0.742116D+01  0.134727D+00  0.976654D+01  0.113088D+01
                91            92            93            94            95 
      1  -0.955671D+00 -0.136770D+01 -0.537052D-02 -0.135558D+01 -0.133858D+01
      2   0.208184D+00  0.515011D+00 -0.152508D+00  0.187019D+01  0.643918D-01
      3  -0.377786D+00 -0.180961D+01  0.274141D+00  0.252590D+00 -0.121655D+01
                96            97            98            99           100 
      1   0.114730D+01  0.178391D+00  0.357856D+01 -0.124396D+01  0.955591D+00
      2   0.556147D+00 -0.299622D+01  0.265207D+00 -0.200293D+01 -0.207751D+00
      3   0.183748D+01 -0.268307D+00  0.223417D+01 -0.647709D+00 -0.377540D+00
               101           102           103           104           105 
      1   0.136765D+01 -0.550854D-02  0.135562D+01  0.133824D+01  0.114716D+01
      2  -0.515054D+00 -0.152651D+00 -0.187006D+01 -0.644378D-01  0.556054D+00
      3  -0.180947D+01 -0.274039D+00  0.252784D+00 -0.121622D+01 -0.183739D+01
               106           107           108           109           110 
      1   0.178404D+00  0.357851D+01  0.124339D+01  0.160893D+01  0.974925D+00
      2  -0.299624D+01  0.265000D+00  0.200338D+01 -0.119875D+00 -0.634693D+00
      3   0.268487D+00 -0.223433D+01 -0.647407D+00  0.278577D+01 -0.715235D+00
               111           112           113           114           115 
      1  -0.679014D+00  0.774684D+00  0.796321D+01 -0.420274D+01 -0.108574D+01
      2  -0.973623D-01  0.957771D+00  0.296441D+01 -0.507765D+01 -0.954950D+00
      3  -0.138500D+01  0.106809D+01  0.154854D+02 -0.435543D+01 -0.192031D+01
               116           117           118           119           120 
      1  -0.298155D+01  0.197074D+01 -0.160910D+01 -0.975202D+00 -0.678947D+00
      2  -0.346681D+01  0.327928D+01  0.119761D+00  0.634752D+00 -0.973847D-01
      3  -0.617353D+01  0.395622D+01  0.278605D+01 -0.714878D+00  0.138509D+01
               121           122           123           124           125 
      1  -0.775051D+00 -0.796252D+01 -0.420245D+01 -0.108564D+01 -0.298141D+01
      2  -0.957913D+00 -0.296443D+01 -0.507753D+01 -0.955026D+00 -0.346683D+01
      3   0.106886D+01  0.154855D+02  0.435598D+01  0.192081D+01  0.617426D+01
               126           127           128           129           130 
      1  -0.197041D+01  0.760798D+01  0.246102D+01 -0.494521D+01  0.352095D+01
      2  -0.327933D+01 -0.172802D+01  0.510544D+00 -0.114587D+01 -0.536149D+00
      3   0.395633D+01  0.133790D+02  0.389161D+01 -0.739737D+01  0.748771D+01
               131           132           133           134           135 
      1   0.218176D+01 -0.398071D+01 -0.503124D+01 -0.240792D+01  0.409452D+01
      2   0.844109D-01 -0.527129D+00 -0.529815D+00 -0.206891D+00  0.189530D+01
      3   0.259403D+01 -0.312123D+01 -0.109303D+02 -0.291109D+01  0.493898D+01
               136           137           138           139           140 
      1  -0.760791D+01 -0.246132D+01 -0.494516D+01 -0.352144D+01 -0.218278D+01
      2   0.172808D+01 -0.510256D+00 -0.114527D+01  0.536429D+00 -0.841442D-01
      3   0.133795D+02  0.389207D+01  0.739669D+01  0.748911D+01  0.259600D+01
               141           142           143           144 
      1  -0.398103D+01 -0.503004D+01 -0.240757D+01 -0.409334D+01
      2  -0.527139D+00 -0.529578D+00 -0.206926D+00 -0.189490D+01
      3   0.312120D+01  0.109279D+02  0.291089D+01  0.493774D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.627850D+01  0.501024D+00 -0.105789D+01  0.686762D+01  0.157426D+02
      2   0.362345D+01  0.650555D+00  0.414462D+01 -0.657033D+01 -0.243637D+02
      3   0.265505D+01 -0.115158D+01 -0.308673D+01 -0.297288D+00  0.862105D+01
      4   0.109035D+02  0.223245D+01  0.299977D+01 -0.104731D+02 -0.135367D+02
      5  -0.721532D+01  0.297987D+01  0.157599D+00 -0.202997D+01 -0.338639D+01
      6  -0.743854D+00 -0.296768D+01  0.863498D+01 -0.489237D+01 -0.818251D+01
                 6             7             8             9            10 
      1   0.487479D+01 -0.122075D+02  0.972283D+01  0.322200D+01  0.226526D+00
      2  -0.302296D+01  0.883709D+01 -0.982280D+01 -0.215111D+01  0.421180D+01
      3  -0.185183D+01  0.337040D+01  0.999735D-01 -0.107088D+01 -0.443833D+01
      4  -0.622989D+01 -0.563714D+00 -0.820208D+01  0.220768D+01  0.552860D+01
      5   0.509201D+01  0.377844D+00  0.503244D+01 -0.651730D+01  0.121458D+01
      6  -0.134556D+02  0.772292D+00 -0.131626D+01 -0.385667D+01  0.353400D+01
                11            12            13            14            15 
      1   0.858768D+01  0.295020D+01  0.907689D+01 -0.287329D+02 -0.417176D+01
      2  -0.368349D+01 -0.216523D+01 -0.259452D+01  0.486170D+02  0.366393D+01
      3  -0.490420D+01 -0.784968D+00 -0.648237D+01 -0.198841D+02  0.507838D+00
      4   0.136253D+02  0.227824D+01  0.169642D+02  0.331268D+02  0.651828D+01
      5   0.235594D+01  0.476469D+01  0.698331D+01  0.155276D+01  0.572650D+01
      6   0.316504D+00 -0.253639D+01  0.249379D+01  0.169841D+02  0.182115D+02
                16            17            18            19            20 
      1   0.433750D+01 -0.107138D+02 -0.111635D+02  0.429981D+02 -0.621583D+01
      2  -0.315999D+01  0.788495D+01  0.266124D+01 -0.258694D+02  0.326903D+01
      3  -0.117752D+01  0.282885D+01  0.850224D+01 -0.171287D+02  0.294680D+01
      4   0.347085D+01  0.809237D+01  0.844146D+01 -0.929012D+01  0.918261D+01
      5   0.593405D+01  0.594056D+01  0.633459D+01  0.164206D+02 -0.354446D+01
      6  -0.825710D-01  0.154963D+02  0.121852D+02 -0.372575D+01  0.340007D+01
                21            22            23            24            25 
      1   0.832434D+01 -0.403020D+00  0.190826D+01  0.268837D+01  0.147629D+02
      2  -0.721280D+01  0.459695D+00 -0.179729D+01 -0.205304D+01 -0.127755D+02
      3  -0.111154D+01 -0.566756D-01 -0.110968D+00 -0.635330D+00 -0.198740D+01
      4  -0.336432D+01  0.108911D+02  0.627286D+01  0.963336D+01 -0.561356D+01
      5   0.146312D+02  0.484248D+00  0.103215D+02 -0.410727D+00  0.184802D+02
      6  -0.506250D+01  0.322073D+01 -0.202555D+01  0.784849D+01 -0.355794D+01
                26            27            28            29            30 
      1  -0.131338D+01  0.514724D+01  0.376291D+00 -0.323168D+01 -0.461253D+01
      2   0.984330D+00 -0.155281D+02  0.202586D+01  0.431174D+01 -0.463981D+01
      3   0.329049D+00  0.103809D+02 -0.240216D+01 -0.108006D+01  0.925234D+01
      4   0.113301D+02 -0.394060D+01 -0.274693D+01 -0.172587D+01  0.220559D+01
      5  -0.557419D+01  0.203352D+02  0.184656D+01  0.140564D+01 -0.738087D+01
      6   0.716523D+01 -0.573382D+01  0.666326D+01  0.403372D+01 -0.163673D+01
                31            32            33            34            35 
      1   0.131308D+01  0.329534D+01 -0.348526D+01 -0.217287D+01 -0.383880D+01
      2   0.322535D+01 -0.557591D+01 -0.704320D+01 -0.373338D+01 -0.133693D+01
      3  -0.453843D+01  0.228057D+01  0.105285D+02  0.590625D+01  0.517573D+01
      4  -0.760247D+01  0.468300D+01  0.187840D+01  0.198102D+01  0.274513D+01
      5   0.220856D+01  0.562797D+01 -0.725180D+01 -0.533288D+01 -0.461220D+01
      6   0.231847D+01 -0.358128D+01 -0.898957D+01 -0.130016D+01  0.833256D-01
                36            37            38            39            40 
      1  -0.399264D+00  0.377833D+00 -0.323135D+01  0.461157D+01  0.131382D+01
      2   0.101944D+02  0.202545D+01  0.431210D+01  0.463974D+01  0.322433D+01
      3  -0.979515D+01 -0.240328D+01 -0.108075D+01 -0.925131D+01 -0.453815D+01
      4  -0.300052D+01 -0.274556D+01 -0.172581D+01 -0.220574D+01 -0.760217D+01
      5   0.147341D+02 -0.184737D+01 -0.140547D+01 -0.737973D+01 -0.220835D+01
      6   0.960694D+01 -0.666306D+01 -0.403437D+01 -0.163635D+01 -0.231927D+01
                41            42            43            44            45 
      1   0.329571D+01  0.348417D+01  0.217142D+01  0.383741D+01 -0.398194D+00
      2  -0.557546D+01  0.704280D+01  0.373316D+01  0.133778D+01  0.101933D+02
      3   0.227975D+01 -0.105270D+02 -0.590458D+01 -0.517520D+01 -0.979513D+01
      4   0.468506D+01 -0.187989D+01 -0.198158D+01 -0.274634D+01 -0.299951D+01
      5  -0.562965D+01 -0.725034D+01 -0.533014D+01 -0.461086D+01 -0.147355D+02
      6   0.358208D+01 -0.899071D+01 -0.129971D+01  0.834997D-01 -0.960726D+01
                46            47            48            49            50 
      1  -0.627931D+01  0.501838D+00  0.105825D+01  0.686656D+01  0.157411D+02
      2   0.362397D+01  0.648876D+00 -0.414504D+01 -0.657026D+01 -0.243634D+02
      3   0.265534D+01 -0.115071D+01  0.308679D+01 -0.296306D+00  0.862239D+01
      4   0.109025D+02  0.223049D+01 -0.299897D+01 -0.104754D+02 -0.135388D+02
      5   0.721663D+01 -0.297922D+01  0.156180D+00  0.203072D+01  0.338677D+01
      6   0.743940D+00  0.296875D+01  0.863338D+01  0.489219D+01  0.818273D+01
                51            52            53            54            55 
      1  -0.487363D+01  0.122071D+02 -0.972072D+01  0.322077D+01  0.228848D+00
      2   0.302333D+01 -0.883599D+01  0.982120D+01 -0.215086D+01  0.421091D+01
      3   0.185030D+01 -0.337108D+01 -0.100480D+00 -0.106991D+01 -0.443975D+01
      4   0.622999D+01  0.563783D+00  0.820155D+01  0.220727D+01  0.553001D+01
      5   0.509087D+01  0.376169D+00  0.503178D+01  0.651801D+01 -0.121518D+01
      6  -0.134551D+02  0.771812D+00 -0.131657D+01  0.385571D+01 -0.353379D+01
                56            57            58            59            60 
      1   0.858700D+01 -0.294952D+01  0.907641D+01 -0.287315D+02  0.417081D+01
      2  -0.368203D+01  0.216513D+01 -0.259328D+01  0.486172D+02 -0.366370D+01
      3  -0.490497D+01  0.784385D+00 -0.648314D+01 -0.198857D+02 -0.507106D+00
      4   0.136279D+02 -0.227821D+01  0.169660D+02  0.331287D+02 -0.651807D+01
      5  -0.235578D+01  0.476526D+01 -0.698389D+01 -0.155255D+01  0.572751D+01
      6  -0.317639D+00 -0.253518D+01 -0.249390D+01 -0.169841D+02  0.182108D+02
                61            62            63            64            65 
      1  -0.433656D+01  0.107124D+02 -0.111621D+02  0.756145D+01  0.152091D+01
      2   0.315950D+01 -0.788336D+01  0.266157D+01 -0.420399D+01 -0.548957D+01
      3   0.117706D+01 -0.282906D+01  0.850057D+01 -0.335747D+01  0.396866D+01
      4  -0.347045D+01 -0.809126D+01  0.844154D+01 -0.114218D+02  0.109253D+02
      5   0.593424D+01  0.594061D+01 -0.633388D+01 -0.287190D+01  0.228530D+01
      6  -0.818122D-01  0.154960D+02 -0.121841D+02  0.880879D+01 -0.488437D+01
                66            67            68            69            70 
      1   0.202825D+01 -0.100338D+01 -0.126615D+02 -0.379451D+01  0.606181D+00
      2   0.133608D+01 -0.452163D+01  0.216137D+02  0.567406D+01  0.122049D+01
      3  -0.336434D+01  0.552500D+01 -0.895217D+01 -0.187955D+01 -0.182667D+01
      4   0.446980D+01  0.102492D+02 -0.146825D+02 -0.253274D+01  0.727725D+01
      5   0.928609D+01  0.157758D+01 -0.871183D+01 -0.191804D+01  0.727997D+01
      6  -0.562683D+01 -0.173337D+01  0.134853D+02  0.123840D+02 -0.592273D+01
                71            72            73            74            75 
      1  -0.600053D+01 -0.568350D+01  0.756264D+01  0.152270D+01 -0.202779D+01
      2   0.446694D+01 -0.339085D+01 -0.420575D+01 -0.549272D+01 -0.133619D+01
      3   0.153358D+01  0.907435D+01 -0.335689D+01  0.397002D+01  0.336398D+01
      4  -0.495145D+01 -0.593303D+01 -0.114225D+02  0.109251D+02 -0.446993D+01
      5  -0.410984D+01 -0.497944D+01  0.287329D+01 -0.228577D+01  0.928656D+01
      6   0.916558D+01  0.102237D+02 -0.880835D+01  0.488516D+01 -0.562683D+01
                76            77            78            79            80 
      1  -0.100236D+01 -0.126589D+02  0.379473D+01 -0.605407D+00  0.600125D+01
      2  -0.452271D+01  0.216094D+02 -0.567418D+01 -0.122106D+01 -0.446798D+01
      3   0.552506D+01 -0.895053D+01  0.187945D+01  0.182647D+01 -0.153327D+01
      4   0.102488D+02 -0.146839D+02  0.253343D+01 -0.727620D+01  0.495082D+01
      5  -0.157771D+01  0.871315D+01 -0.191878D+01  0.728013D+01 -0.411024D+01
      6   0.173403D+01 -0.134854D+02  0.123843D+02 -0.592135D+01  0.916503D+01
                81            82            83            84            85 
      1  -0.568293D+01  0.429946D+02 -0.621612D+01 -0.832448D+01 -0.403665D+00
      2  -0.339139D+01 -0.258680D+02  0.326953D+01  0.721299D+01  0.460136D+00
      3   0.907432D+01 -0.171266D+02  0.294659D+01  0.111149D+01 -0.564709D-01
      4  -0.593263D+01 -0.929032D+01  0.918236D+01  0.336400D+01  0.108905D+02
      5   0.497946D+01 -0.164210D+02  0.354429D+01  0.146312D+02 -0.484082D+00
      6  -0.102227D+02  0.372536D+01 -0.340016D+01 -0.506211D+01 -0.322000D+01
                86            87            88            89            90 
      1   0.190783D+01 -0.268846D+01 -0.147617D+02  0.131305D+01  0.514631D+01
      2  -0.179772D+01  0.205289D+01  0.127747D+02 -0.984329D+00 -0.155282D+02
      3  -0.110111D+00  0.635574D+00  0.198701D+01 -0.328719D+00  0.103819D+02
      4   0.627319D+01 -0.963277D+01  0.561365D+01 -0.113298D+02 -0.394086D+01
      5  -0.103208D+02 -0.410986D+00  0.184799D+02 -0.557433D+01 -0.203358D+02
      6   0.202540D+01  0.784795D+01 -0.355792D+01  0.716568D+01  0.573428D+01
                91            92            93            94            95 
      1   0.299062D+01  0.143882D+01 -0.412181D+00  0.438389D+00 -0.245056D+01
      2  -0.735237D+01 -0.203646D+01  0.746239D+01 -0.177981D+01 -0.175403D+01
      3   0.436175D+01  0.597644D+00 -0.705021D+01  0.134142D+01  0.420458D+01
      4   0.300693D+01  0.345648D+01 -0.205780D+01  0.444390D+01  0.361179D+01
      5  -0.991995D+01 -0.272308D+01  0.136545D+02 -0.387990D+01 -0.566451D+01
      6  -0.357110D+01 -0.258151D+01  0.302602D+01 -0.332891D+01 -0.573836D+01
                96            97            98            99           100 
      1   0.414020D+01  0.174753D+00  0.263481D+01 -0.104547D+02  0.299038D+01
      2   0.397900D+01  0.709952D+01  0.314623D+01 -0.176826D+02 -0.735202D+01
      3  -0.811920D+01 -0.727427D+01 -0.578104D+01  0.281374D+02  0.436164D+01
      4  -0.417621D+01 -0.219173D+01 -0.381942D+01  0.364281D+01  0.300690D+01
      5   0.794484D+01  0.122388D+02  0.465903D+01 -0.219416D+02  0.991970D+01
      6   0.969346D+01  0.293516D+01  0.645864D+01 -0.962692D+01  0.357148D+01
               101           102           103           104           105 
      1   0.143878D+01  0.412410D+00  0.438290D+00 -0.245056D+01 -0.413996D+01
      2  -0.203645D+01 -0.746187D+01 -0.177950D+01 -0.175384D+01 -0.397859D+01
      3   0.597668D+00  0.704946D+01  0.134121D+01  0.420441D+01  0.811855D+01
      4   0.345658D+01  0.205797D+01  0.444389D+01  0.361192D+01  0.417630D+01
      5   0.272317D+01  0.136539D+02  0.387970D+01  0.566457D+01  0.794465D+01
      6   0.258157D+01  0.302607D+01  0.332893D+01  0.573854D+01  0.969343D+01
               106           107           108           109           110 
      1  -0.174347D+00 -0.263482D+01 -0.104545D+02  0.484906D+01 -0.430340D+01
      2  -0.709916D+01 -0.314631D+01 -0.176816D+02 -0.103223D+01  0.668693D+00
      3   0.727351D+01  0.578113D+01  0.281361D+02 -0.381683D+01  0.363470D+01
      4   0.219189D+01  0.381978D+01  0.364301D+01 -0.550746D+01  0.466755D+01
      5   0.122382D+02  0.465923D+01  0.219415D+02  0.172254D+01  0.698272D+00
      6   0.293532D+01  0.645882D+01  0.962774D+01 -0.290716D-01 -0.217817D+00
               111           112           113           114           115 
      1   0.868056D+00 -0.120370D+02  0.315958D+01  0.306202D+01  0.692633D+01
      2  -0.109508D+01  0.503061D+01  0.407975D+01 -0.391068D+01 -0.355839D+01
      3   0.227023D+00  0.700641D+01 -0.723933D+01  0.848663D+00 -0.336794D+01
      4  -0.333467D+00  0.885666D+01 -0.214891D+02  0.795138D+00 -0.928571D+00
      5   0.240001D+00  0.556275D+01  0.199263D+01 -0.767832D+01 -0.932597D+00
      6  -0.433039D-01 -0.276404D+01  0.505010D+01  0.215867D+01  0.438799D+00
               116           117           118           119           120 
      1  -0.125858D+01 -0.172573D+01  0.484868D+01 -0.430333D+01 -0.868468D+00
      2  -0.275749D+00  0.233143D+01 -0.103194D+01  0.668512D+00  0.109535D+01
      3   0.153433D+01 -0.605705D+00 -0.381674D+01  0.363482D+01 -0.226887D+00
      4   0.496624D+01 -0.320072D+01 -0.550742D+01  0.466750D+01  0.333659D+00
      5  -0.387696D+01  0.322790D+01 -0.172308D+01 -0.698043D+00  0.239959D+00
      6   0.862765D+00  0.357012D+00  0.292507D-01  0.217622D+00 -0.434334D-01
               121           122           123           124           125 
      1  -0.120382D+02  0.315985D+01 -0.306199D+01 -0.692737D+01  0.125863D+01
      2   0.503130D+01  0.407912D+01  0.391066D+01  0.355905D+01  0.275615D+00
      3   0.700689D+01 -0.723897D+01 -0.848669D+00  0.336832D+01 -0.153424D+01
      4   0.885664D+01 -0.214886D+02 -0.795812D+00  0.928886D+00 -0.496675D+01
      5  -0.556250D+01 -0.199334D+01 -0.767827D+01 -0.932341D+00 -0.387720D+01
      6   0.276362D+01 -0.504941D+01  0.215815D+01  0.438615D+00  0.862664D+00
               126           127           128           129           130 
      1  -0.172554D+01 -0.246360D+01 -0.232696D+01 -0.305319D+01 -0.223632D+01
      2   0.233123D+01  0.346663D+01  0.432406D+01 -0.948931D+00  0.271990D+01
      3  -0.605689D+00 -0.100302D+01 -0.199710D+01  0.400212D+01 -0.483574D+00
      4  -0.320095D+01  0.650480D+01 -0.281678D+01 -0.231272D+01  0.436546D+01
      5  -0.322825D+01  0.188323D+01  0.133848D+01 -0.341200D+01  0.167252D+01
      6  -0.357094D+00 -0.467587D+01  0.435058D+01  0.324455D+01 -0.131002D+01
               131           132           133           134           135 
      1  -0.662661D+01 -0.438388D+00  0.158444D+01  0.159444D+01 -0.237225D+00
      2   0.119118D+02 -0.187937D+01 -0.159322D+01 -0.363860D+01  0.227149D+01
      3  -0.528518D+01  0.231776D+01  0.878354D-02  0.204416D+01 -0.203427D+01
      4  -0.100917D+01 -0.676176D+00 -0.543778D+01  0.382399D+01  0.178281D+01
      5   0.730569D+00 -0.150447D+01 -0.351109D+00 -0.480958D+00  0.254265D+01
      6   0.190171D+01  0.409156D+01  0.369460D+01  0.163262D+01 -0.255737D+01
               136           137           138           139           140 
      1  -0.246406D+01 -0.232893D+01  0.305264D+01 -0.223770D+01 -0.662889D+01
      2   0.346785D+01  0.432704D+01  0.948812D+00  0.272185D+01  0.119157D+02
      3  -0.100379D+01 -0.199810D+01 -0.400145D+01 -0.484154D+00 -0.528685D+01
      4   0.650482D+01 -0.281442D+01  0.231234D+01  0.436643D+01 -0.100880D+01
      5  -0.188350D+01 -0.133895D+01 -0.341125D+01 -0.167297D+01 -0.730775D+00
      6   0.467476D+01 -0.435044D+01  0.324465D+01  0.130986D+01 -0.190310D+01
               141           142           143           144 
      1   0.438743D+00 -0.158468D+01 -0.159434D+01 -0.237933D+00
      2   0.187931D+01  0.159335D+01  0.363888D+01  0.227130D+01
      3  -0.231806D+01 -0.867436D-02 -0.204454D+01 -0.203337D+01
      4   0.676422D+00  0.543627D+01 -0.382285D+01  0.178227D+01
      5  -0.150465D+01 -0.350731D+00 -0.481019D+00 -0.254189D+01
      6   0.409182D+01  0.369345D+01  0.163337D+01  0.255562D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x         -0.219189D-04     -0.557122D-04     -0.185836D-03
   y         -0.101866D-03     -0.258916D-03     -0.863652D-03
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx        -0.296794D-03     -0.439804D-04     -0.489348D-04
   zy         0.199159D-03      0.295122D-04      0.328368D-04
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.727899D+02      0.107863D+02      0.120014D+02
   aniso      0.172740D+02      0.255974D+01      0.284809D+01
   xx         0.753896D+02      0.111716D+02      0.124301D+02
   yx        -0.604414D+01     -0.895649D+00     -0.996544D+00
   yy         0.790967D+02      0.117209D+02      0.130413D+02
   zx        -0.249755D-03     -0.370098D-04     -0.411790D-04
   zy         0.195198D-03      0.289253D-04      0.321838D-04
   zz         0.638832D+02      0.946652D+01      0.105329D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.76735853         -0.96502805         -0.57007385
     8         -2.31696074         -3.11815562         -1.19555530
     8         -4.48337387          0.44921833         -1.71637645
     6         -1.42254131          0.31564008          1.65808247
     6          1.42263979         -0.31523177          1.65805615
     6          2.76726756          0.96486607         -0.57045900
     8          2.31696707          3.11792165         -1.19628239
     8         -1.89866432          2.93902700          1.70264174
     8          1.89885183         -2.93862214          1.70328911
     8          4.48316494         -0.44963936         -1.71660582
     1         -2.23579019         -0.50729097          3.37023765
     1          2.23594810          0.50809288          3.36999020
     1          4.43580667         -2.10957318         -0.90336175
     1         -4.43594537          2.10930842         -0.90345073
     1         -0.57361606          3.73426375          0.68145216
     1          0.57369527         -3.73431743          0.68262209

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx         0.850065D-04      0.125967D-04      0.140157D-04
   zy        -0.126477D-02     -0.187420D-03     -0.208533D-03
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.727899D+02      0.107863D+02      0.120014D+02
   aniso      0.172740D+02      0.255974D+01      0.284809D+01
   xx         0.753896D+02      0.111716D+02      0.124301D+02
   yx        -0.604414D+01     -0.895649D+00     -0.996544D+00
   yy         0.790967D+02      0.117209D+02      0.130413D+02
   zx         0.138762D-03      0.205625D-04      0.228788D-04
   zy        -0.131967D-02     -0.195554D-03     -0.217583D-03
   zz         0.638832D+02      0.946652D+01      0.105329D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-32\Freq\RB3LYP\Gen\C4H6O6\PIERPA\22-Jul-2021\0\\#P B3
 LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,M
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 KEEP CLOSE TO NATURES HEART, YOURSELF;
 AND BREAK CLEAR AWAY, ONCE IN A WHILE, AND
 CLIMB A MOUNTAIN OR SPEND A WEEK IN THE
 WOODS.  WASH YOUR SPIRIT CLEAN...
                                         -- JOHN MUIR
 Job cpu time:       0 days  6 hours 10 minutes 45.1 seconds.
 Elapsed time:       0 days  0 hours 46 minutes 28.4 seconds.
 File lengths (MBytes):  RWF=    514 Int=      0 D2E=      0 Chk=     16 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 21:10:41 2021.
